4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine

C18H17FN4O — CID 95801289

IUPAC4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCc3cccc(F)c3)nc2C2CC2)on1
InChIInChI=1S/C18H17FN4O/c1-11-7-16(24-23-11)15-10-21-18(22-17(15)13-5-6-13)20-9-12-3-2-4-14(19)8-12/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,20,21,22)
InChIKeyNXTVSWDRCLRQNM-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.07
Rot. Bonds5

About 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine

4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine (PubChem CID 95801289) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
PubChem CID95801289
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(NCc3cccc(F)c3)nc2C2CC2)on1
InChIInChI=1S/C18H17FN4O/c1-11-7-16(24-23-11)15-10-21-18(22-17(15)13-5-6-13)20-9-12-3-2-4-14(19)8-12/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,20,21,22)
InChIKeyNXTVSWDRCLRQNM-UHFFFAOYSA-N
XLogP4.07
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine (CID 95801289) is 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine is Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2C2CC2)on1.
What is the InChIKey of 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
The InChIKey is NXTVSWDRCLRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11-7-16(24-23-11)15-10-21-18(22-17(15)13-5-6-13)20-9-12-3-2-4-14(19)8-12/h2-4,7-8,10,13H,5-6,9H2,1H3,(H,20,21,22).
What are the key properties of 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine?
4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine has a molecular weight of 324.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 95801289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).