1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

C16H17N5 — CID 60961241

IUPAC1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1nccc(CNCc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-12-18-8-7-15(20-12)11-17-9-14-10-19-21-16(14)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,19,21)
InChIKeyYCLUSRXWTLSUQI-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.46
Rot. Bonds5

About 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 60961241) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID60961241
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1nccc(CNCc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C16H17N5/c1-12-18-8-7-15(20-12)11-17-9-14-10-19-21-16(14)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,19,21)
InChIKeyYCLUSRXWTLSUQI-UHFFFAOYSA-N
XLogP2.46
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60960570
1-(3-methyl-4-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 114699278
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 62524526
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4213259
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 60961241) is 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1nccc(CNCc2cn[nH]c2-c2ccccc2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is YCLUSRXWTLSUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-12-18-8-7-15(20-12)11-17-9-14-10-19-21-16(14)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,19,21).
What are the key properties of 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 279.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 60961241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).