2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine

C12H17N5 — CID 113388292

IUPAC2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-n2cccn2)nc1
InChIInChI=1S/C12H17N5/c1-10(2)6-13-7-11-8-14-12(15-9-11)17-5-3-4-16-17/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyIRPRFVKRGRJLBY-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.41
Rot. Bonds5

About 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine

2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 113388292) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine
PubChem CID113388292
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cnc(-n2cccn2)nc1
InChIInChI=1S/C12H17N5/c1-10(2)6-13-7-11-8-14-12(15-9-11)17-5-3-4-16-17/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyIRPRFVKRGRJLBY-UHFFFAOYSA-N
XLogP1.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-pyrazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294142
1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
CID 106670519
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388089
2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65197740
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 62448294
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 86808153
N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 64533832
2-methyl-N-[[2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65137560
4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
CID 122073068
N-[[2-[(3,5-dimethylphenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62758071
2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
N-(3-methyl-2-propan-2-ylbutyl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 102915345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine (CID 113388292) is 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine is CC(C)CNCc1cnc(-n2cccn2)nc1.
What is the InChIKey of 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is IRPRFVKRGRJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10(2)6-13-7-11-8-14-12(15-9-11)17-5-3-4-16-17/h3-5,8-10,13H,6-7H2,1-2H3.
What are the key properties of 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine?
2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 113388292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).