N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine

C17H19N5 — CID 133416847

IUPACN-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2cnn(Cc3ccccc3)c2)ncn1
InChIInChI=1S/C17H19N5/c1-13-8-17(19-12-18-13)21-14(2)16-9-20-22(11-16)10-15-6-4-3-5-7-15/h3-9,11-12,14H,10H2,1-2H3,(H,18,19,21)
InChIKeyBLMNYWKPANPPHS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.20
Rot. Bonds5

About N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine

N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 133416847) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID133416847
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2cnn(Cc3ccccc3)c2)ncn1
InChIInChI=1S/C17H19N5/c1-13-8-17(19-12-18-13)21-14(2)16-9-20-22(11-16)10-15-6-4-3-5-7-15/h3-9,11-12,14H,10H2,1-2H3,(H,18,19,21)
InChIKeyBLMNYWKPANPPHS-UHFFFAOYSA-N
XLogP3.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133416862
N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine
CID 133416813
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
CID 133416856
(1R)-1-(1-benzylpyrazol-4-yl)-N-[(1S)-1-pyrazin-2-ylethyl]ethanamine
CID 97108308
2-(1-benzylpyrazol-4-yl)-3-methylbutan-1-amine
CID 83899641
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methylsulfonyl-4-nitroaniline
CID 133416873
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133307821
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133416851
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine (CID 133416847) is N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine is Cc1cc(NC(C)c2cnn(Cc3ccccc3)c2)ncn1.
What is the InChIKey of N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is BLMNYWKPANPPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-8-17(19-12-18-13)21-14(2)16-9-20-22(11-16)10-15-6-4-3-5-7-15/h3-9,11-12,14H,10H2,1-2H3,(H,18,19,21).
What are the key properties of N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine?
N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrazol-4-yl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133416847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).