2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine

C15H17FN4 — CID 80958111

IUPAC2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCN(c1ccc(F)cc1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H17FN4/c1-2-20(12-7-5-11(16)6-8-12)14-9-13(17)18-15(19-14)10-3-4-10/h5-10H,2-4H2,1H3,(H2,17,18,19)
InChIKeyHWVDODLNZFIBAE-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.23
Rot. Bonds4

About 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 80958111) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID80958111
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCN(c1ccc(F)cc1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H17FN4/c1-2-20(12-7-5-11(16)6-8-12)14-9-13(17)18-15(19-14)10-3-4-10/h5-10H,2-4H2,1H3,(H2,17,18,19)
InChIKeyHWVDODLNZFIBAE-UHFFFAOYSA-N
XLogP3.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958034
2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80957673
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-cyclopropyl-6-(4-fluorophenoxy)pyrimidin-4-amine
CID 80966558
4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80934889
4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771651
2-cyclopropyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80961398
2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
CID 80958842
2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80959517

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine (CID 80958111) is 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine is CCN(c1ccc(F)cc1)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is HWVDODLNZFIBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-2-20(12-7-5-11(16)6-8-12)14-9-13(17)18-15(19-14)10-3-4-10/h5-10H,2-4H2,1H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 272.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80958111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).