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

C19H24N8 — CID 124986410

IUPAC6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2cn(C)cn2)n1
InChIInChI=1S/C19H24N8/c1-14-10-17(25-19-20-7-5-8-21-19)24-18(23-14)16-6-3-4-9-27(16)12-15-11-26(2)13-22-15/h5,7-8,10-11,13,16H,3-4,6,9,12H2,1-2H3,(H,20,21,23,24,25)/t16-/m1/s1
InChIKeyNYHXTHGWJGCYIE-MRXNPFEDSA-N
MW364.46 g/mol
LogP2.78
Rot. Bonds5

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

6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (PubChem CID 124986410) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
PubChem CID124986410
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
SMILESCc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2cn(C)cn2)n1
InChIInChI=1S/C19H24N8/c1-14-10-17(25-19-20-7-5-8-21-19)24-18(23-14)16-6-3-4-9-27(16)12-15-11-26(2)13-22-15/h5,7-8,10-11,13,16H,3-4,6,9,12H2,1-2H3,(H,20,21,23,24,25)/t16-/m1/s1
InChIKeyNYHXTHGWJGCYIE-MRXNPFEDSA-N
XLogP2.78
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine (CID 124986410) is 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2cn(C)cn2)n1.
What is the InChIKey of 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
The InChIKey is NYHXTHGWJGCYIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N8/c1-14-10-17(25-19-20-7-5-8-21-19)24-18(23-14)16-6-3-4-9-27(16)12-15-11-26(2)13-22-15/h5,7-8,10-11,13,16H,3-4,6,9,12H2,1-2H3,(H,20,21,23,24,25)/t16-/m1/s1.
What are the key properties of 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine?
6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine has a molecular weight of 364.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2R)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]-N-pyrimidin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 124986410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).