5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine

C10H15ClN4 — CID 106996173

IUPAC5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1CC(Nc2ncncc2Cl)CCN1
InChIInChI=1S/C10H15ClN4/c1-7-4-8(2-3-13-7)15-10-9(11)5-12-6-14-10/h5-8,13H,2-4H2,1H3,(H,12,14,15)
InChIKeyCGIGQFWLNQYXHD-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.68
Rot. Bonds2

About 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine

5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 106996173) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID106996173
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1CC(Nc2ncncc2Cl)CCN1
InChIInChI=1S/C10H15ClN4/c1-7-4-8(2-3-13-7)15-10-9(11)5-12-6-14-10/h5-8,13H,2-4H2,1H3,(H,12,14,15)
InChIKeyCGIGQFWLNQYXHD-UHFFFAOYSA-N
XLogP1.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369904
5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 105369623
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
N-(2-methylpiperidin-4-yl)pyrazin-2-amine
CID 106995922
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367
5-bromo-N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106996016
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 106996144
3-methyl-N-(2-methylpiperidin-4-yl)pyridin-4-amine
CID 106995966
N-(2-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 106996268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine (CID 106996173) is 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine is CC1CC(Nc2ncncc2Cl)CCN1.
What is the InChIKey of 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is CGIGQFWLNQYXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-4-8(2-3-13-7)15-10-9(11)5-12-6-14-10/h5-8,13H,2-4H2,1H3,(H,12,14,15).
What are the key properties of 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine?
5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 226.71 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 106996173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).