5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

C12H17N5O — CID 114197839

IUPAC5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2ccnn2C(C)C)c1OC
InChIInChI=1S/C12H17N5O/c1-8(2)17-9(5-6-16-17)10-11(18-4)12(13-3)15-7-14-10/h5-8H,1-4H3,(H,13,14,15)
InChIKeyHRQGMOZWFKNXRH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.97
Rot. Bonds4

About 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114197839) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114197839
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2ccnn2C(C)C)c1OC
InChIInChI=1S/C12H17N5O/c1-8(2)17-9(5-6-16-17)10-11(18-4)12(13-3)15-7-14-10/h5-8H,1-4H3,(H,13,14,15)
InChIKeyHRQGMOZWFKNXRH-UHFFFAOYSA-N
XLogP1.97
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,5-trimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114197828
5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691054
4-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69095779
5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734578
6-(2-fluoro-4-methoxyphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115505231
6-(3-fluoro-2-methylphenyl)-5-methoxy-N-methylpyrimidin-4-amine
CID 115502976
N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 142359850
3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 170163268
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270
3-methoxy-5-[2-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 169285053
4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82822681
2,5-dimethyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114197836

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (CID 114197839) is 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is CNc1ncnc(-c2ccnn2C(C)C)c1OC.
What is the InChIKey of 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is HRQGMOZWFKNXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)17-9(5-6-16-17)10-11(18-4)12(13-3)15-7-14-10/h5-8H,1-4H3,(H,13,14,15).
What are the key properties of 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-6-(2-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114197839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).