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

C16H22N6 — CID 133336237

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3cc(C)nc(C)n3)CC2)ncn1
InChIInChI=1S/C16H22N6/c1-11-8-15(18-10-17-11)21-14-4-6-22(7-5-14)16-9-12(2)19-13(3)20-16/h8-10,14H,4-7H2,1-3H3,(H,17,18,21)
InChIKeyPBXKOYMGFCVMIL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds3

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

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 133336237) 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]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID133336237
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3cc(C)nc(C)n3)CC2)ncn1
InChIInChI=1S/C16H22N6/c1-11-8-15(18-10-17-11)21-14-4-6-22(7-5-14)16-9-12(2)19-13(3)20-16/h8-10,14H,4-7H2,1-3H3,(H,17,18,21)
InChIKeyPBXKOYMGFCVMIL-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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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887829
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
6-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 165432269
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 133336161
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
CID 126887882

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 133336237) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(c3cc(C)nc(C)n3)CC2)ncn1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is PBXKOYMGFCVMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11-8-15(18-10-17-11)21-14-4-6-22(7-5-14)16-9-12(2)19-13(3)20-16/h8-10,14H,4-7H2,1-3H3,(H,17,18,21).
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-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]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133336237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).