4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

C12H19N5O2 — CID 133464744

IUPAC4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCC(CO)Nc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C12H19N5O2/c1-9(7-18)15-10-5-11(14-8-13-10)17-4-3-16(2)12(19)6-17/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyRKNJEXWBIDMULS-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.45
Rot. Bonds4

About 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133464744) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133464744
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCC(CO)Nc1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C12H19N5O2/c1-9(7-18)15-10-5-11(14-8-13-10)17-4-3-16(2)12(19)6-17/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,13,14,15)
InChIKeyRKNJEXWBIDMULS-UHFFFAOYSA-N
XLogP-0.45
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-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-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 90453878
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
1-methyl-4-[6-[[1-(2-methylpropyl)cyclopropyl]methylamino]pyrimidin-4-yl]piperazin-2-one
CID 133493356
4-[6-[(2-hydroxy-2-methylbutyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464327
4-[6-[1-(2-fluoro-6-methoxyphenyl)ethylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464722
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
1-methyl-4-[6-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]piperazin-2-one
CID 133464683
4-[6-(3-anilinopropylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 100648289
1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234
4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464720
N-[3-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 133492568
1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 129398746

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133464744) is 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is CC(CO)Nc1cc(N2CCN(C)C(=O)C2)ncn1.
What is the InChIKey of 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is RKNJEXWBIDMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(7-18)15-10-5-11(14-8-13-10)17-4-3-16(2)12(19)6-17/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133464744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).