4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one

C27H39N7O2 — CID 154651374

IUPAC4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one
SMILESCC(C)(N)C(=O)N1CCN(c2ccn(-c3ccc(CC4(N5CCC(N)CC5)CC4)cc3)c(=O)n2)CC1
InChIInChI=1S/C27H39N7O2/c1-26(2,29)24(35)32-17-15-31(16-18-32)23-9-14-34(25(36)30-23)22-5-3-20(4-6-22)19-27(10-11-27)33-12-7-21(28)8-13-33/h3-6,9,14,21H,7-8,10-13,15-19,28-29H2,1-2H3
InChIKeyYYLXCDQBDPWSIH-UHFFFAOYSA-N
MW493.66 g/mol
LogP1.12
Rot. Bonds6

About 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one

4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one (PubChem CID 154651374) has the molecular formula C27H39N7O2 and a molecular weight of 493.66 g/mol. Its IUPAC name is 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one
PubChem CID154651374
Molecular FormulaC27H39N7O2
Molecular Weight493.66 g/mol
Exact Mass493.32
IUPAC Name4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one
SMILESCC(C)(N)C(=O)N1CCN(c2ccn(-c3ccc(CC4(N5CCC(N)CC5)CC4)cc3)c(=O)n2)CC1
InChIInChI=1S/C27H39N7O2/c1-26(2,29)24(35)32-17-15-31(16-18-32)23-9-14-34(25(36)30-23)22-5-3-20(4-6-22)19-27(10-11-27)33-12-7-21(28)8-13-33/h3-6,9,14,21H,7-8,10-13,15-19,28-29H2,1-2H3
InChIKeyYYLXCDQBDPWSIH-UHFFFAOYSA-N
XLogP1.12
TPSA113.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one 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

4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[4-(2-aminopropan-2-yl)piperidin-1-yl]methyl]phenyl]pyrimidin-2-one;formamide
CID 154651844
1-[4-[2-(7-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide
CID 154650211
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[ethyl(methyl)amino]methyl]phenyl]pyrimidin-2-one
CID 155006555
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[2-[3-(aminomethyl)pyrrolidin-1-yl]propyl]phenyl]pyrimidin-2-one
CID 155008671
1-[4-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;ethane;formamide
CID 154652510
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[2-[(6-aminospiro[3.3]heptan-2-yl)-(2,2,2-trifluoroethyl)amino]propyl]phenyl]pyrimidin-2-one
CID 155006458
1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide
CID 154651035
N-[1-[4-[2-[(4R)-4-aminoazepan-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide;hydrochloride
CID 154651978
1-[4-[2-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)butyl]phenyl]-4-[4-(2-amino-2-sulfanylpropanoyl)piperazin-1-yl]pyrimidin-2-one
CID 154650660
N-[1-[4-[2-[(4-aminocyclohexyl)amino]propyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154650805
N-[1-[4-[(2S)-2-amino-3-(4-aminoazepan-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154651386
N-[1-[4-[[(4-aminocyclohexyl)-(cyclopropylmethyl)amino]methyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154651109

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one (CID 154651374) is 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one is CC(C)(N)C(=O)N1CCN(c2ccn(-c3ccc(CC4(N5CCC(N)CC5)CC4)cc3)c(=O)n2)CC1.
What is the InChIKey of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one?
The InChIKey is YYLXCDQBDPWSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N7O2/c1-26(2,29)24(35)32-17-15-31(16-18-32)23-9-14-34(25(36)30-23)22-5-3-20(4-6-22)19-27(10-11-27)33-12-7-21(28)8-13-33/h3-6,9,14,21H,7-8,10-13,15-19,28-29H2,1-2H3.
What are the key properties of 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one?
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one has a molecular weight of 493.66 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-1-[4-[[1-(4-aminopiperidin-1-yl)cyclopropyl]methyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 154651374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).