1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

C25H30N8O3 — CID 67176426

IUPAC1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
SMILESCC1COCCN1c1nc(-c2ccc(NC(=O)NCCO)cc2)nc2c1CCN(c1ccncn1)C2
InChIInChI=1S/C25H30N8O3/c1-17-15-36-13-11-33(17)24-20-7-10-32(22-6-8-26-16-28-22)14-21(20)30-23(31-24)18-2-4-19(5-3-18)29-25(35)27-9-12-34/h2-6,8,16-17,34H,7,9-15H2,1H3,(H2,27,29,35)
InChIKeyQJCYIKLTACBTOI-UHFFFAOYSA-N
MW490.57 g/mol
LogP1.84
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea (PubChem CID 67176426) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
PubChem CID67176426
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC Name1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
SMILESCC1COCCN1c1nc(-c2ccc(NC(=O)NCCO)cc2)nc2c1CCN(c1ccncn1)C2
InChIInChI=1S/C25H30N8O3/c1-17-15-36-13-11-33(17)24-20-7-10-32(22-6-8-26-16-28-22)14-21(20)30-23(31-24)18-2-4-19(5-3-18)29-25(35)27-9-12-34/h2-6,8,16-17,34H,7,9-15H2,1H3,(H2,27,29,35)
InChIKeyQJCYIKLTACBTOI-UHFFFAOYSA-N
XLogP1.84
TPSA128.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea with MolForge

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Related Compounds

1-[4-[7-acetyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)urea
CID 67176579
1-(2-hydroxyethyl)-3-[4-[6-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 46912976
1-(2-fluoroethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 86640110
4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 68555623
1-(4,4-dimethylpentyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-[2-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 91050672
2-[2-[4-(ethylcarbamoylamino)phenyl]-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-N-(2-hydroxyethyl)acetamide
CID 67177131
1-(2-cyanoethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[7-(5-fluoropyrimidin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[7-(4-methoxypyrimidin-2-yl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-[4-(trifluoromethyl)pyrimidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea;1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 173380233
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-(1,3-thiazol-2-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67178584
1-[4-[4-(3-methylmorpholin-4-yl)-7-(2-methylpyrimidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(1,2-oxazol-3-yl)urea
CID 67176613
1-ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-6-(6-methylpyrimidin-4-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67177078
1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]phenyl]urea
CID 67382757
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(6-methylpyrimidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenyl]urea
CID 59239346

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea (CID 67176426) is 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea is CC1COCCN1c1nc(-c2ccc(NC(=O)NCCO)cc2)nc2c1CCN(c1ccncn1)C2.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?
The InChIKey is QJCYIKLTACBTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-17-15-36-13-11-33(17)24-20-7-10-32(22-6-8-26-16-28-22)14-21(20)30-23(31-24)18-2-4-19(5-3-18)29-25(35)27-9-12-34/h2-6,8,16-17,34H,7,9-15H2,1H3,(H2,27,29,35).
What are the key properties of 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea?
1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea has a molecular weight of 490.57 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-[4-(3-methylmorpholin-4-yl)-7-pyrimidin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea is sourced from PubChem (CID 67176426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).