[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol

C16H20ClN3O — CID 62088864

IUPAC[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)Cc2cccc(Cl)c2)c(CO)n1
InChIInChI=1S/C16H20ClN3O/c1-11(2)16-18-8-15(14(10-21)19-16)20(3)9-12-5-4-6-13(17)7-12/h4-8,11,21H,9-10H2,1-3H3
InChIKeyDLQLJQDNPKGRPE-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.38
Rot. Bonds5

About [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol

[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62088864) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62088864
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)Cc2cccc(Cl)c2)c(CO)n1
InChIInChI=1S/C16H20ClN3O/c1-11(2)16-18-8-15(14(10-21)19-16)20(3)9-12-5-4-6-13(17)7-12/h4-8,11,21H,9-10H2,1-3H3
InChIKeyDLQLJQDNPKGRPE-UHFFFAOYSA-N
XLogP3.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62087606
[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088677
[5-(3-chlorophenoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62086715
[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
CID 62088137
1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol
CID 79390588
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392645
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892
5-[benzyl(methyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62083995
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217
(1S)-1-[3-chloro-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939961
8-N-[(3-chlorophenyl)methyl]-8-N-methylquinoline-5,8-diamine
CID 61413478
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 62299111

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62088864) is [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(N(C)Cc2cccc(Cl)c2)c(CO)n1.
What is the InChIKey of [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is DLQLJQDNPKGRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(2)16-18-8-15(14(10-21)19-16)20(3)9-12-5-4-6-13(17)7-12/h4-8,11,21H,9-10H2,1-3H3.
What are the key properties of [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 305.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chlorophenyl)methyl-methylamino]-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62088864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).