N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine

C16H17N5O — CID 75451950

IUPACN-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(Nc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C16H17N5O/c1-12-8-15(20-16(18-12)22-2)19-14-9-17-21(11-14)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyQRMNJQWHHXYIDU-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.78
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine

N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine (PubChem CID 75451950) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
PubChem CID75451950
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(Nc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C16H17N5O/c1-12-8-15(20-16(18-12)22-2)19-14-9-17-21(11-14)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyQRMNJQWHHXYIDU-UHFFFAOYSA-N
XLogP2.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
N-[1-(1-benzylpyrazol-4-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133416862
N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
CID 164643893
N-[(1-benzylpyrazol-4-yl)methyl]-2-(ethoxymethyl)-6-methylpyrimidin-4-amine
CID 136568277
3-[(1-benzylpyrazol-4-yl)amino]-4-methylbenzoic acid
CID 110452864
1-benzyl-N-(2-propan-2-yloxyphenyl)pyrazol-4-amine
CID 110452887
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-4-amine
CID 110452856
1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
CID 60931899
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine (CID 75451950) is N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine is COc1nc(C)cc(Nc2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
The InChIKey is QRMNJQWHHXYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-8-15(20-16(18-12)22-2)19-14-9-17-21(11-14)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine is sourced from PubChem (CID 75451950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).