[1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine

C13H21ClN4 — CID 95928667

IUPAC[1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCC(C)c1cc(N2CCC(CN)CC2)nc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-9(2)11-7-12(17-13(14)16-11)18-5-3-10(8-15)4-6-18/h7,9-10H,3-6,8,15H2,1-2H3
InChIKeyGGLZMGCOCGZPNX-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.43
Rot. Bonds3

About [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine

[1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine (PubChem CID 95928667) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
PubChem CID95928667
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name[1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESCC(C)c1cc(N2CCC(CN)CC2)nc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-9(2)11-7-12(17-13(14)16-11)18-5-3-10(8-15)4-6-18/h7,9-10H,3-6,8,15H2,1-2H3
InChIKeyGGLZMGCOCGZPNX-UHFFFAOYSA-N
XLogP2.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4-fluorophenyl)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 56768291
[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 97162738
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
CID 94075362
(1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanamine
CID 83869698
(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851945
2-chloro-4-propan-2-yl-6-pyrrol-1-ylpyrimidine
CID 130056122
2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol
CID 154842261
1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
CID 154838840
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
CID 130569673
[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 71634268
[1-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperidin-4-yl]methanamine
CID 71564106
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine (CID 95928667) is [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine is CC(C)c1cc(N2CCC(CN)CC2)nc(Cl)n1.
What is the InChIKey of [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is GGLZMGCOCGZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9(2)11-7-12(17-13(14)16-11)18-5-3-10(8-15)4-6-18/h7,9-10H,3-6,8,15H2,1-2H3.
What are the key properties of [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine?
[1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 95928667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).