N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine

C16H22N6 — CID 136512883

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
SMILESCc1cc(N2CCC(Nc3ccnc(C)n3)CC2)nc(C)n1
InChIInChI=1S/C16H22N6/c1-11-10-16(20-13(3)18-11)22-8-5-14(6-9-22)21-15-4-7-17-12(2)19-15/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,17,19,21)
InChIKeyYSQWDINEEUGKHG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine (PubChem CID 136512883) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
PubChem CID136512883
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
SMILESCc1cc(N2CCC(Nc3ccnc(C)n3)CC2)nc(C)n1
InChIInChI=1S/C16H22N6/c1-11-10-16(20-13(3)18-11)22-8-5-14(6-9-22)21-15-4-7-17-12(2)19-15/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,17,19,21)
InChIKeyYSQWDINEEUGKHG-UHFFFAOYSA-N
XLogP2.27
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine (CID 136512883) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine is Cc1cc(N2CCC(Nc3ccnc(C)n3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine?
The InChIKey is YSQWDINEEUGKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11-10-16(20-13(3)18-11)22-8-5-14(6-9-22)21-15-4-7-17-12(2)19-15/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,17,19,21).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 136512883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).