2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

C13H21ClN4 — CID 95928666

IUPAC2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2CCNCC2)nc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-9(2)11-7-12(18-13(14)17-11)16-8-10-3-5-15-6-4-10/h7,9-10,15H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeySKJURZCZTBOTPP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 95928666) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID95928666
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCC2CCNCC2)nc(Cl)n1
InChIInChI=1S/C13H21ClN4/c1-9(2)11-7-12(18-13(14)17-11)16-8-10-3-5-15-6-4-10/h7,9-10,15H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeySKJURZCZTBOTPP-UHFFFAOYSA-N
XLogP2.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 94076556
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71638564
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638563
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
N-(piperidin-4-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 126724513
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
6-(methoxymethyl)-2-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 94076559
6-chloro-2-methylsulfanyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 97164952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 95928666) is 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCC2CCNCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is SKJURZCZTBOTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9(2)11-7-12(18-13(14)17-11)16-8-10-3-5-15-6-4-10/h7,9-10,15H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 95928666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).