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

C14H24N4 — CID 94076556

IUPAC2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(NCC2CCNCC2)cc(C(C)C)n1
InChIInChI=1S/C14H24N4/c1-10(2)13-8-14(18-11(3)17-13)16-9-12-4-6-15-7-5-12/h8,10,12,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyXRCMJGKSSDVLBG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.32
Rot. Bonds4

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

2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 94076556) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID94076556
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(NCC2CCNCC2)cc(C(C)C)n1
InChIInChI=1S/C14H24N4/c1-10(2)13-8-14(18-11(3)17-13)16-9-12-4-6-15-7-5-12/h8,10,12,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyXRCMJGKSSDVLBG-UHFFFAOYSA-N
XLogP2.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 95928666
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
6-(methoxymethyl)-2-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 94076559
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753
2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 50977340
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71638564
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638563
N-(piperidin-4-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 126724513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 94076556) is 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is Cc1nc(NCC2CCNCC2)cc(C(C)C)n1.
What is the InChIKey of 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XRCMJGKSSDVLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)13-8-14(18-11(3)17-13)16-9-12-4-6-15-7-5-12/h8,10,12,15H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 94076556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).