6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine

C17H24N6 — CID 126887829

IUPAC6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ccnc(C(C)C)n3)CC2)ncn1
InChIInChI=1S/C17H24N6/c1-12(2)17-18-7-4-16(22-17)23-8-5-14(6-9-23)21-15-10-13(3)19-11-20-15/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,19,20,21)
InChIKeyMVALDXFZGVJAMY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.78
Rot. Bonds4

About 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine

6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887829) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887829
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ccnc(C(C)C)n3)CC2)ncn1
InChIInChI=1S/C17H24N6/c1-12(2)17-18-7-4-16(22-17)23-8-5-14(6-9-23)21-15-10-13(3)19-11-20-15/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,19,20,21)
InChIKeyMVALDXFZGVJAMY-UHFFFAOYSA-N
XLogP2.78
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
CID 126887882
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 126887844
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
N-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887880

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887829) is 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(c3ccnc(C(C)C)n3)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is MVALDXFZGVJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12(2)17-18-7-4-16(22-17)23-8-5-14(6-9-23)21-15-10-13(3)19-11-20-15/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,19,20,21).
What are the key properties of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).