ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea

C26H40N6O3 — CID 143935928

IUPACethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESCC.CC.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(CC)C3=O)cc1
InChIInChI=1S/C22H28N6O3.2C2H6/c1-3-23-22(30)24-16-7-5-15(6-8-16)19-25-18-17(9-10-27(4-2)21(18)29)20(26-19)28-11-13-31-14-12-28;2*1-2/h5-8H,3-4,9-14H2,1-2H3,(H2,23,24,30);2*1-2H3
InChIKeyIYJPITAYXWARLZ-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.19
Rot. Bonds5

About ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea

ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea (PubChem CID 143935928) has the molecular formula C26H40N6O3 and a molecular weight of 484.65 g/mol. Its IUPAC name is ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Nameethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
PubChem CID143935928
Molecular FormulaC26H40N6O3
Molecular Weight484.65 g/mol
Exact Mass484.32
IUPAC Nameethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESCC.CC.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(CC)C3=O)cc1
InChIInChI=1S/C22H28N6O3.2C2H6/c1-3-23-22(30)24-16-7-5-15(6-8-16)19-25-18-17(9-10-27(4-2)21(18)29)20(26-19)28-11-13-31-14-12-28;2*1-2/h5-8H,3-4,9-14H2,1-2H3,(H2,23,24,30);2*1-2H3
InChIKeyIYJPITAYXWARLZ-UHFFFAOYSA-N
XLogP4.19
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[4-[6-[(4-methoxyphenyl)methyl]-4-morpholin-4-yl-7-oxo-5H-pyrrolo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239632
1-ethyl-3-[4-(4-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-2-yl)phenyl]urea
CID 91294724
N-ethyl-2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 46913264
1-[4-(6-acetyl-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 143936129
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxan-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 143935936
1-ethyl-3-[4-(7-methylsulfanyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 143936009
methyl 2-[4-(ethylcarbamoylamino)phenyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 59239136
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-ethyl-3-[4-[4-morpholin-4-yl-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239355
1-[4-(7-benzyl-4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-2-yl)phenyl]-3-ethylurea
CID 44814559
1-ethyl-3-[4-[8-methyl-4-morpholin-4-yl-7-(oxetan-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59239614
1-ethyl-3-[4-[7-(5-methyl-6-oxo-1H-pyridin-2-yl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67177064

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The IUPAC name of ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea (CID 143935928) is ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The canonical SMILES for ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea is CC.CC.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(CC)C3=O)cc1.
What is the InChIKey of ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The InChIKey is IYJPITAYXWARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3.2C2H6/c1-3-23-22(30)24-16-7-5-15(6-8-16)19-25-18-17(9-10-27(4-2)21(18)29)20(26-19)28-11-13-31-14-12-28;2*1-2/h5-8H,3-4,9-14H2,1-2H3,(H2,23,24,30);2*1-2H3.
What are the key properties of ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea has a molecular weight of 484.65 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 143935928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).