N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine

C16H16FN5O — CID 70725904

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1cnc(N(C)Cc2cnn(-c3ccc(F)cc3)c2)nc1
InChIInChI=1S/C16H16FN5O/c1-21(16-18-8-15(23-2)9-19-16)10-12-7-20-22(11-12)14-5-3-13(17)4-6-14/h3-9,11H,10H2,1-2H3
InChIKeyNOFHCARVCVRVMS-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.45
Rot. Bonds5

About N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine (PubChem CID 70725904) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine
PubChem CID70725904
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1cnc(N(C)Cc2cnn(-c3ccc(F)cc3)c2)nc1
InChIInChI=1S/C16H16FN5O/c1-21(16-18-8-15(23-2)9-19-16)10-12-7-20-22(11-12)14-5-3-13(17)4-6-14/h3-9,11H,10H2,1-2H3
InChIKeyNOFHCARVCVRVMS-UHFFFAOYSA-N
XLogP2.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine (CID 70725904) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine is COc1cnc(N(C)Cc2cnn(-c3ccc(F)cc3)c2)nc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is NOFHCARVCVRVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-21(16-18-8-15(23-2)9-19-16)10-12-7-20-22(11-12)14-5-3-13(17)4-6-14/h3-9,11H,10H2,1-2H3.
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 313.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-5-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 70725904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).