N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine

C13H12N6 — CID 25480347

IUPACN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ccc(-n3cccn3)nc2)nc1
InChIInChI=1S/C13H12N6/c1-5-14-13(15-6-1)17-10-11-3-4-12(16-9-11)19-8-2-7-18-19/h1-9H,10H2,(H,14,15,17)
InChIKeyIDURHBPBDDBTQR-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.67
Rot. Bonds4

About N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine

N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine (PubChem CID 25480347) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
PubChem CID25480347
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC NameN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
SMILESc1cnc(NCc2ccc(-n3cccn3)nc2)nc1
InChIInChI=1S/C13H12N6/c1-5-14-13(15-6-1)17-10-11-3-4-12(16-9-11)19-8-2-7-18-19/h1-9H,10H2,(H,14,15,17)
InChIKeyIDURHBPBDDBTQR-UHFFFAOYSA-N
XLogP1.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
N-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 51104033
5-(methylsulfanylmethyl)-2-pyrazol-1-ylpyridine
CID 148997787
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine
CID 47081019
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 86808153
N-[(2,6-dichlorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704388
2,5-dichloro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 51112319
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47614231

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine (CID 25480347) is N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine is c1cnc(NCc2ccc(-n3cccn3)nc2)nc1.
What is the InChIKey of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
The InChIKey is IDURHBPBDDBTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-5-14-13(15-6-1)17-10-11-3-4-12(16-9-11)19-8-2-7-18-19/h1-9H,10H2,(H,14,15,17).
What are the key properties of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine?
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine has a molecular weight of 252.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 25480347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).