N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine

C15H15N5 — CID 133375460

IUPACN-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
SMILESCc1ccn(-c2ccccc2CNc2ncccn2)n1
InChIInChI=1S/C15H15N5/c1-12-7-10-20(19-12)14-6-3-2-5-13(14)11-18-15-16-8-4-9-17-15/h2-10H,11H2,1H3,(H,16,17,18)
InChIKeyXEFSDSCXORSIGL-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds4

About N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine

N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 133375460) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
PubChem CID133375460
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
SMILESCc1ccn(-c2ccccc2CNc2ncccn2)n1
InChIInChI=1S/C15H15N5/c1-12-7-10-20(19-12)14-6-3-2-5-13(14)11-18-15-16-8-4-9-17-15/h2-10H,11H2,1H3,(H,16,17,18)
InChIKeyXEFSDSCXORSIGL-UHFFFAOYSA-N
XLogP2.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]benzonitrile
CID 133375330
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133375415
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyridin-2-amine
CID 133375267
1,3-dimethyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-nitropyrazol-5-amine
CID 133375375
2-(methoxymethyl)-6-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 133375431
1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 86779695
6-tert-butyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133375400
2-methyl-N-[[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105074737
6-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133375389
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-3-methylsulfonyl-2-nitroaniline
CID 133414488
N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154887071
2-(methoxymethyl)-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]-4-nitroaniline
CID 133375365

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine (CID 133375460) is N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine is Cc1ccn(-c2ccccc2CNc2ncccn2)n1.
What is the InChIKey of N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is XEFSDSCXORSIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-12-7-10-20(19-12)14-6-3-2-5-13(14)11-18-15-16-8-4-9-17-15/h2-10H,11H2,1H3,(H,16,17,18).
What are the key properties of N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine?
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 133375460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).