5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine

C16H23ClN6 — CID 68953885

IUPAC5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESCc1ncc(-c2nc(NC3CCNCC3)ncc2Cl)n1C(C)C
InChIInChI=1S/C16H23ClN6/c1-10(2)23-11(3)19-9-14(23)15-13(17)8-20-16(22-15)21-12-4-6-18-7-5-12/h8-10,12,18H,4-7H2,1-3H3,(H,20,21,22)
InChIKeyFNOUHHSYXJHEPF-UHFFFAOYSA-N
MW334.86 g/mol
LogP3.05
Rot. Bonds4

About 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine

5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine (PubChem CID 68953885) has the molecular formula C16H23ClN6 and a molecular weight of 334.86 g/mol. Its IUPAC name is 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine
PubChem CID68953885
Molecular FormulaC16H23ClN6
Molecular Weight334.86 g/mol
Exact Mass334.17
IUPAC Name5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine
SMILESCc1ncc(-c2nc(NC3CCNCC3)ncc2Cl)n1C(C)C
InChIInChI=1S/C16H23ClN6/c1-10(2)23-11(3)19-9-14(23)15-13(17)8-20-16(22-15)21-12-4-6-18-7-5-12/h8-10,12,18H,4-7H2,1-3H3,(H,20,21,22)
InChIKeyFNOUHHSYXJHEPF-UHFFFAOYSA-N
XLogP3.05
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.86
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-(3-phenylphenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 172591502
1-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 69071474
5-methyl-2-N-piperidin-4-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54274609
5-chloro-4-N-methyl-2-N-pyrrolidin-3-ylpyrimidine-2,4-diamine
CID 175114467
4-[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylpiperidine-1-carboxylic acid
CID 91381147
4-N,4-N-dimethyl-1-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 68557934
N-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 24866855
4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68556119
N-[(1S,3R)-3-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclopentyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 68551136
4-methyl-N-piperidin-4-ylpyrimidin-2-amine
CID 59744254
6-chloro-2-(cyclohexylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 170954287
N-piperidin-4-yl-4-propan-2-ylpyrimidin-2-amine
CID 58990485

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine (CID 68953885) is 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine is Cc1ncc(-c2nc(NC3CCNCC3)ncc2Cl)n1C(C)C.
What is the InChIKey of 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine?
The InChIKey is FNOUHHSYXJHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6/c1-10(2)23-11(3)19-9-14(23)15-13(17)8-20-16(22-15)21-12-4-6-18-7-5-12/h8-10,12,18H,4-7H2,1-3H3,(H,20,21,22).
What are the key properties of 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine?
5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine has a molecular weight of 334.86 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-piperidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 68953885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).