N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine

C14H20FN5O — CID 137339562

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)CCCn2nc(C)cc2C)ncc1F
InChIInChI=1S/C14H20FN5O/c1-10-8-11(2)20(18-10)7-5-6-19(3)14-16-9-12(15)13(17-14)21-4/h8-9H,5-7H2,1-4H3
InChIKeyHKGBWQIOEKKREM-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.96
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 137339562) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID137339562
Molecular FormulaC14H20FN5O
Molecular Weight293.35 g/mol
Exact Mass293.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)CCCn2nc(C)cc2C)ncc1F
InChIInChI=1S/C14H20FN5O/c1-10-8-11(2)20(18-10)7-5-6-19(3)14-16-9-12(15)13(17-14)21-4/h8-9H,5-7H2,1-4H3
InChIKeyHKGBWQIOEKKREM-UHFFFAOYSA-N
XLogP1.96
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine (CID 137339562) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine is COc1nc(N(C)CCCn2nc(C)cc2C)ncc1F.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is HKGBWQIOEKKREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-10-8-11(2)20(18-10)7-5-6-19(3)14-16-9-12(15)13(17-14)21-4/h8-9H,5-7H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 293.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 137339562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).