4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine

C12H17N5O — CID 116794496

IUPAC4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-4-5-13-12-15-9(2)6-11(16-12)18-10-7-14-17(3)8-10/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeySXZYYADSAVJYOQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.13
Rot. Bonds5

About 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine

4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine (PubChem CID 116794496) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
PubChem CID116794496
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(Oc2cnn(C)c2)n1
InChIInChI=1S/C12H17N5O/c1-4-5-13-12-15-9(2)6-11(16-12)18-10-7-14-17(3)8-10/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeySXZYYADSAVJYOQ-UHFFFAOYSA-N
XLogP2.13
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butyl-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidine-2,4-diamine
CID 70856147
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 53539832
2-Amino-4-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056711
2-Iodo-6-(1-methyl-3-trifluoromethylpyrazol-5-yloxy)-5-methylpyrimidine
CID 12056712
N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-yl]acetamide
CID 141107623
5-Methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
CID 141107683
4-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidin-5-amine
CID 141107727
4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 170094307
5-fluoro-N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877446
N-ethyl-5-fluoro-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877531
5-fluoro-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877934
5-Fluoro-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80878019

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine (CID 116794496) is 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(Oc2cnn(C)c2)n1.
What is the InChIKey of 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
The InChIKey is SXZYYADSAVJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-5-13-12-15-9(2)6-11(16-12)18-10-7-14-17(3)8-10/h6-8H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine?
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine is sourced from PubChem (CID 116794496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).