1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea

C25H35N7O5 — CID 143742041

IUPAC1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
SMILESCN1CCN(C(=O)C(C)(O)c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1
InChIInChI=1S/C25H35N7O5/c1-25(36,23(34)32-10-8-30(2)9-11-32)20-17-21(31-12-15-37-16-13-31)29-22(28-20)18-3-5-19(6-4-18)27-24(35)26-7-14-33/h3-6,17,33,36H,7-16H2,1-2H3,(H2,26,27,35)
InChIKeyQNAUJRZAFKZIJA-UHFFFAOYSA-N
MW513.60 g/mol
LogP0.08
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea

1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea (PubChem CID 143742041) has the molecular formula C25H35N7O5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
PubChem CID143742041
Molecular FormulaC25H35N7O5
Molecular Weight513.60 g/mol
Exact Mass513.27
IUPAC Name1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
SMILESCN1CCN(C(=O)C(C)(O)c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1
InChIInChI=1S/C25H35N7O5/c1-25(36,23(34)32-10-8-30(2)9-11-32)20-17-21(31-12-15-37-16-13-31)29-22(28-20)18-3-5-19(6-4-18)27-24(35)26-7-14-33/h3-6,17,33,36H,7-16H2,1-2H3,(H2,26,27,35)
InChIKeyQNAUJRZAFKZIJA-UHFFFAOYSA-N
XLogP0.08
TPSA143.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyethyl)-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-pyridin-4-ylsulfonylpropan-2-yl)pyrimidin-2-yl]phenyl]urea
CID 57427784
[2-[4-[2-(dimethylamino)ethylcarbamoylamino]phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-ethylsulfanium
CID 143633229
1-[4-[4-[1-(1-cyclopropylprop-2-enylsulfonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-(2-hydroxyethyl)urea
CID 174618802
1-[4-[4-[[dihydroxy(methyl)-λ4-sulfanyl]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 59380093
[4-[4-(2-methylsulfonylsulfonylpropan-2-yl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]carbamic acid
CID 68978963
2-[4-(cyclopropylcarbamoylamino)phenyl]-N-(1-methylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 143633351
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[4-[4-(cyclopropylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 143633302
1-(2-fluoroethyl)-3-[4-[7-(2-hydroxy-2-methylpropanoyl)-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 143936133
1-tert-butyl-3-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143633340
[2-[4-(ethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-propan-2-ylsulfanium
CID 143633058
1-[4-[4-(1-cyclopropylsulfanylcyclopentyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-(3-hydroxypropyl)urea
CID 143741410

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea (CID 143742041) is 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea is CN1CCN(C(=O)C(C)(O)c2cc(N3CCOCC3)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
The InChIKey is QNAUJRZAFKZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O5/c1-25(36,23(34)32-10-8-30(2)9-11-32)20-17-21(31-12-15-37-16-13-31)29-22(28-20)18-3-5-19(6-4-18)27-24(35)26-7-14-33/h3-6,17,33,36H,7-16H2,1-2H3,(H2,26,27,35).
What are the key properties of 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea?
1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea has a molecular weight of 513.60 g/mol, XLogP of 0.08, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-[4-[2-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea is sourced from PubChem (CID 143742041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).