4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine

C15H16N6 — CID 32805633

IUPAC4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2ccnc(-n3cccn3)c2)n1
InChIInChI=1S/C15H16N6/c1-11-8-12(2)20-15(19-11)17-10-13-4-6-16-14(9-13)21-7-3-5-18-21/h3-9H,10H2,1-2H3,(H,17,19,20)
InChIKeyOIOJLOYAQBSBIG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.29
Rot. Bonds4

About 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine

4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 32805633) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID32805633
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2ccnc(-n3cccn3)c2)n1
InChIInChI=1S/C15H16N6/c1-11-8-12(2)20-15(19-11)17-10-13-4-6-16-14(9-13)21-7-3-5-18-21/h3-9H,10H2,1-2H3,(H,17,19,20)
InChIKeyOIOJLOYAQBSBIG-UHFFFAOYSA-N
XLogP2.29
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62294663
5-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1,2,4-oxadiazol-3-amine
CID 133481887
2-methyl-8-nitro-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]quinolin-4-amine
CID 133436604
2-(4-tert-butylphenyl)sulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619723
5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
CID 133290976
4-bromo-2-methyl-5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 133303303
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
4-methoxy-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 34113136
N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide
CID 86801992
2,6-dimethyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrimidin-4-amine
CID 167795619
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111182113

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine (CID 32805633) is 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCc2ccnc(-n3cccn3)c2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is OIOJLOYAQBSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-8-12(2)20-15(19-11)17-10-13-4-6-16-14(9-13)21-7-3-5-18-21/h3-9H,10H2,1-2H3,(H,17,19,20).
What are the key properties of 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 32805633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).