2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine

C14H15FN4 — CID 80981221

IUPAC2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN4/c1-8-12(16)18-14(9-2-3-9)19-13(8)17-11-6-4-10(15)5-7-11/h4-7,9H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyALFZDOFJDJHURF-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.13
Rot. Bonds3

About 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80981221) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80981221
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1Nc1ccc(F)cc1
InChIInChI=1S/C14H15FN4/c1-8-12(16)18-14(9-2-3-9)19-13(8)17-11-6-4-10(15)5-7-11/h4-7,9H,2-3H2,1H3,(H3,16,17,18,19)
InChIKeyALFZDOFJDJHURF-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine (CID 80981221) is 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1Nc1ccc(F)cc1.
What is the InChIKey of 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is ALFZDOFJDJHURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-8-12(16)18-14(9-2-3-9)19-13(8)17-11-6-4-10(15)5-7-11/h4-7,9H,2-3H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 258.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).