N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C16H22N6 — CID 126888975

IUPACN-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1nccc(CN2CCC(N(C)c3ccncn3)CC2)n1
InChIInChI=1S/C16H22N6/c1-13-18-8-3-14(20-13)11-22-9-5-15(6-10-22)21(2)16-4-7-17-12-19-16/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3
InChIKeyGAAKCTASLUNSEJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.68
Rot. Bonds4

About N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126888975) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126888975
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1nccc(CN2CCC(N(C)c3ccncn3)CC2)n1
InChIInChI=1S/C16H22N6/c1-13-18-8-3-14(20-13)11-22-9-5-15(6-10-22)21(2)16-4-7-17-12-19-16/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3
InChIKeyGAAKCTASLUNSEJ-UHFFFAOYSA-N
XLogP1.68
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
N-[1-[(3-cyclopropylimidazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-4-amine
CID 126889025
N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
N-methyl-N-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889018
4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
CID 126890144
N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171995236
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
7-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
CID 126888935
N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171998300
1-[3-[[4-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126889048
N-methyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 130636866

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126888975) is N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1nccc(CN2CCC(N(C)c3ccncn3)CC2)n1.
What is the InChIKey of N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is GAAKCTASLUNSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-13-18-8-3-14(20-13)11-22-9-5-15(6-10-22)21(2)16-4-7-17-12-19-16/h3-4,7-8,12,15H,5-6,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126888975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).