(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol

C15H27N5O — CID 124737207

IUPAC(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCc1cc(N(C)C)nc(N2CCN(C[C@H](C)O)[C@H](C)C2)n1
InChIInChI=1S/C15H27N5O/c1-11-8-14(18(4)5)17-15(16-11)20-7-6-19(10-13(3)21)12(2)9-20/h8,12-13,21H,6-7,9-10H2,1-5H3/t12-,13+/m1/s1
InChIKeyPPSOJJOAYZYLJI-OLZOCXBDSA-N
MW293.42 g/mol
LogP0.74
Rot. Bonds4

About (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol

(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol (PubChem CID 124737207) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol
PubChem CID124737207
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol
SMILESCc1cc(N(C)C)nc(N2CCN(C[C@H](C)O)[C@H](C)C2)n1
InChIInChI=1S/C15H27N5O/c1-11-8-14(18(4)5)17-15(16-11)20-7-6-19(10-13(3)21)12(2)9-20/h8,12-13,21H,6-7,9-10H2,1-5H3/t12-,13+/m1/s1
InChIKeyPPSOJJOAYZYLJI-OLZOCXBDSA-N
XLogP0.74
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol 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

N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 95290702
2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 165433876
2-(4-chlorophenyl)-1-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031971
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 124840029
6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18566518
[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 121031818
N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine
CID 95286452
2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 154830244
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 56778013

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol (CID 124737207) is (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol is Cc1cc(N(C)C)nc(N2CCN(C[C@H](C)O)[C@H](C)C2)n1.
What is the InChIKey of (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol?
The InChIKey is PPSOJJOAYZYLJI-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-8-14(18(4)5)17-15(16-11)20-7-6-19(10-13(3)21)12(2)9-20/h8,12-13,21H,6-7,9-10H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol has a molecular weight of 293.42 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124737207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).