(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol

C19H27N5O — CID 95620513

IUPAC(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@H](O)CN(C)c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H27N5O/c1-22-10-12-24(13-11-22)15-17(25)14-23(2)18-8-9-20-19(21-18)16-6-4-3-5-7-16/h3-9,17,25H,10-15H2,1-2H3/t17-/m1/s1
InChIKeyLLWJZHJUJLRTGZ-QGZVFWFLSA-N
MW341.46 g/mol
LogP1.19
Rot. Bonds6

About (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol

(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 95620513) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID95620513
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@H](O)CN(C)c2ccnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C19H27N5O/c1-22-10-12-24(13-11-22)15-17(25)14-23(2)18-8-9-20-19(21-18)16-6-4-3-5-7-16/h3-9,17,25H,10-15H2,1-2H3/t17-/m1/s1
InChIKeyLLWJZHJUJLRTGZ-QGZVFWFLSA-N
XLogP1.19
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508
(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)benzylamine
CID 660212
2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 750850
2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 764708
2-[4-[(4-Ethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 791481
4-[[4-[3-(4-Acetylpiperazin-1-yl)prop-1-ynyl]phenyl]methyl-(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile
CID 9980918
2-[4-(3-Phenyl-cyclohex-3-enylmethyl)-piperazin-1-yl]-pyrimidine
CID 10246306

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 95620513) is (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(C[C@H](O)CN(C)c2ccnc(-c3ccccc3)n2)CC1.
What is the InChIKey of (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is LLWJZHJUJLRTGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O/c1-22-10-12-24(13-11-22)15-17(25)14-23(2)18-8-9-20-19(21-18)16-6-4-3-5-7-16/h3-9,17,25H,10-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol?
(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 341.46 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 95620513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).