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

C14H15FN4 — CID 80977204

IUPAC2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1Nc1cccc(F)c1
InChIInChI=1S/C14H15FN4/c1-8-12(16)18-14(9-5-6-9)19-13(8)17-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6H2,1H3,(H3,16,17,18,19)
InChIKeyIKWYHANKDCUDCN-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.13
Rot. Bonds3

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

2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80977204) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80977204
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1Nc1cccc(F)c1
InChIInChI=1S/C14H15FN4/c1-8-12(16)18-14(9-5-6-9)19-13(8)17-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6H2,1H3,(H3,16,17,18,19)
InChIKeyIKWYHANKDCUDCN-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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Related Compounds

2-cyclopropyl-4-N-(4-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80981221
4-N-(3-chloro-5-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107371117
2-cyclopropyl-4-N-(3,4-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80975985
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554
2-cyclopropyl-4-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80986122
2-ethyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 80976619
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 81007517
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
4-N-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80982612
4-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80982222
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80988620

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine (CID 80977204) is 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1Nc1cccc(F)c1.
What is the InChIKey of 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is IKWYHANKDCUDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-8-12(16)18-14(9-5-6-9)19-13(8)17-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-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-(3-fluorophenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80977204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).