(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol

C18H24N4O — CID 124840029

IUPAC(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2ccnc(-c3ccccc3)n2)C[C@H]1C
InChIInChI=1S/C18H24N4O/c1-14-12-22(11-10-21(14)13-15(2)23)17-8-9-19-18(20-17)16-6-4-3-5-7-16/h3-9,14-15,23H,10-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyCGQMUTQSLZOPMH-CABCVRRESA-N
MW312.42 g/mol
LogP2.03
Rot. Bonds4

About (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol

(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 124840029) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID124840029
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2ccnc(-c3ccccc3)n2)C[C@H]1C
InChIInChI=1S/C18H24N4O/c1-14-12-22(11-10-21(14)13-15(2)23)17-8-9-19-18(20-17)16-6-4-3-5-7-16/h3-9,14-15,23H,10-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyCGQMUTQSLZOPMH-CABCVRRESA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2S)-2-methyl-4-quinoxalin-2-ylpiperazin-1-yl]propan-2-ol
CID 98763653
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 56778013
6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
(1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 96538427
1-[4-[2,6-dimethyl-4-(2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088649
1-[2-methyl-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 56778700
1-[2-ethyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propan-2-ol
CID 86900405
N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 95348327
2-(2-methylphenyl)sulfanyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537337
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol (CID 124840029) is (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(c2ccnc(-c3ccccc3)n2)C[C@H]1C.
What is the InChIKey of (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is CGQMUTQSLZOPMH-CABCVRRESA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-12-22(11-10-21(14)13-15(2)23)17-8-9-19-18(20-17)16-6-4-3-5-7-16/h3-9,14-15,23H,10-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 312.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124840029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).