N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

C11H14FN5O — CID 135115910

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2cnn(C)c2C)ncc1F
InChIInChI=1S/C11H14FN5O/c1-7-8(5-15-17(7)2)4-13-11-14-6-9(12)10(16-11)18-3/h5-6H,4H2,1-3H3,(H,13,14,16)
InChIKeyPJRFHJCUHCTJNP-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.28
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 135115910) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID135115910
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2cnn(C)c2C)ncc1F
InChIInChI=1S/C11H14FN5O/c1-7-8(5-15-17(7)2)4-13-11-14-6-9(12)10(16-11)18-3/h5-6H,4H2,1-3H3,(H,13,14,16)
InChIKeyPJRFHJCUHCTJNP-UHFFFAOYSA-N
XLogP1.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (CID 135115910) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is COc1nc(NCc2cnn(C)c2C)ncc1F.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is PJRFHJCUHCTJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-7-8(5-15-17(7)2)4-13-11-14-6-9(12)10(16-11)18-3/h5-6H,4H2,1-3H3,(H,13,14,16).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 251.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 135115910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).