2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine

C17H26N6 — CID 154736804

IUPAC2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nc(C)n1
InChIInChI=1S/C17H26N6/c1-12-10-16(21-13(2)20-12)18-11-14-6-5-9-22(3)17(14)15-7-8-19-23(15)4/h7-8,10,14,17H,5-6,9,11H2,1-4H3,(H,18,20,21)/t14-,17+/m0/s1
InChIKeyNEOMKAZQJCFEBI-WMLDXEAASA-N
MW314.44 g/mol
LogP2.32
Rot. Bonds4

About 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine

2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 154736804) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID154736804
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nc(C)n1
InChIInChI=1S/C17H26N6/c1-12-10-16(21-13(2)20-12)18-11-14-6-5-9-22(3)17(14)15-7-8-19-23(15)4/h7-8,10,14,17H,5-6,9,11H2,1-4H3,(H,18,20,21)/t14-,17+/m0/s1
InChIKeyNEOMKAZQJCFEBI-WMLDXEAASA-N
XLogP2.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 128981757
2-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazole-3-sulfonamide
CID 128977860
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989331
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 154793435
2-(3-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128984529
2-cyclohexyloxy-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]acetamide
CID 128989291
1-(furan-2-ylmethyl)-2-methyl-3-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972939
2-cyano-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 128984602
1,1,3,3-tetramethyl-2-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]guanidine
CID 120972925
N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 128989490
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 128981714

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine (CID 154736804) is 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine is Cc1cc(NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is NEOMKAZQJCFEBI-WMLDXEAASA-N. The full InChI is InChI=1S/C17H26N6/c1-12-10-16(21-13(2)20-12)18-11-14-6-5-9-22(3)17(14)15-7-8-19-23(15)4/h7-8,10,14,17H,5-6,9,11H2,1-4H3,(H,18,20,21)/t14-,17+/m0/s1.
What are the key properties of 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 154736804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).