N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

C17H26N6 — CID 125015958

IUPACN-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1nccc([C@H]2CCCCN2Cc2nccn2C(C)C)n1
InChIInChI=1S/C17H26N6/c1-13(2)23-11-9-19-16(23)12-22-10-5-4-6-15(22)14-7-8-20-17(18-3)21-14/h7-9,11,13,15H,4-6,10,12H2,1-3H3,(H,18,20,21)/t15-/m1/s1
InChIKeyWXIHUDGVJDUSFS-OAHLLOKOSA-N
MW314.44 g/mol
LogP3.02
Rot. Bonds5

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

N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 125015958) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID125015958
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCNc1nccc([C@H]2CCCCN2Cc2nccn2C(C)C)n1
InChIInChI=1S/C17H26N6/c1-13(2)23-11-9-19-16(23)12-22-10-5-4-6-15(22)14-7-8-20-17(18-3)21-14/h7-9,11,13,15H,4-6,10,12H2,1-3H3,(H,18,20,21)/t15-/m1/s1
InChIKeyWXIHUDGVJDUSFS-OAHLLOKOSA-N
XLogP3.02
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124967538
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124951811
N-methyl-4-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124966086
2-imidazol-1-yl-6-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 110258101
N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244826
4-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124965793
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 127244806
N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124955181
[1-[(1-propan-2-ylimidazol-2-yl)methyl]azetidin-2-yl]methanamine
CID 165488496
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 125015958) is N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is CNc1nccc([C@H]2CCCCN2Cc2nccn2C(C)C)n1.
What is the InChIKey of N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is WXIHUDGVJDUSFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N6/c1-13(2)23-11-9-19-16(23)12-22-10-5-4-6-15(22)14-7-8-20-17(18-3)21-14/h7-9,11,13,15H,4-6,10,12H2,1-3H3,(H,18,20,21)/t15-/m1/s1.
What are the key properties of N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 314.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 125015958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).