4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

C14H14ClFN4 — CID 107371117

IUPAC4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H14ClFN4/c1-7-12(17)19-14(8-2-3-8)20-13(7)18-11-5-9(15)4-10(16)6-11/h4-6,8H,2-3H2,1H3,(H3,17,18,19,20)
InChIKeyBCWFNXAVXQPDLU-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.78
Rot. Bonds3

About 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (PubChem CID 107371117) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
PubChem CID107371117
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C14H14ClFN4/c1-7-12(17)19-14(8-2-3-8)20-13(7)18-11-5-9(15)4-10(16)6-11/h4-6,8H,2-3H2,1H3,(H3,17,18,19,20)
InChIKeyBCWFNXAVXQPDLU-UHFFFAOYSA-N
XLogP3.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (CID 107371117) is 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is BCWFNXAVXQPDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c1-7-12(17)19-14(8-2-3-8)20-13(7)18-11-5-9(15)4-10(16)6-11/h4-6,8H,2-3H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 292.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107371117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).