4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C19H20FN5O — CID 69082679

IUPAC4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C19H20FN5O/c1-12-9-21-19(23-14-10-22-25(2)11-14)24-18(12)13-6-7-17(16(20)8-13)26-15-4-3-5-15/h6-11,15H,3-5H2,1-2H3,(H,21,23,24)
InChIKeyUFPQINFZMFRYEA-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.00
Rot. Bonds5

About 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine

4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 69082679) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID69082679
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1ccc(OC2CCC2)c(F)c1
InChIInChI=1S/C19H20FN5O/c1-12-9-21-19(23-14-10-22-25(2)11-14)24-18(12)13-6-7-17(16(20)8-13)26-15-4-3-5-15/h6-11,15H,3-5H2,1-2H3,(H,21,23,24)
InChIKeyUFPQINFZMFRYEA-UHFFFAOYSA-N
XLogP4.00
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 69082679) is 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(OC2CCC2)c(F)c1.
What is the InChIKey of 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is UFPQINFZMFRYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12-9-21-19(23-14-10-22-25(2)11-14)24-18(12)13-6-7-17(16(20)8-13)26-15-4-3-5-15/h6-11,15H,3-5H2,1-2H3,(H,21,23,24).
What are the key properties of 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 353.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 69082679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).