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

C14H15FN4 — CID 80957673

IUPAC2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCN(c1cccc(F)c1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H15FN4/c1-19(11-4-2-3-10(15)7-11)13-8-12(16)17-14(18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H2,16,17,18)
InChIKeyDWAGZSAPRHSYPL-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.84
Rot. Bonds3

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

2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80957673) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80957673
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCN(c1cccc(F)c1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H15FN4/c1-19(11-4-2-3-10(15)7-11)13-8-12(16)17-14(18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H2,16,17,18)
InChIKeyDWAGZSAPRHSYPL-UHFFFAOYSA-N
XLogP2.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80958140
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
2-cyclopropyl-N-(3-fluorophenyl)-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81007580
2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 80958111
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80957882
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967075
N-(3-fluorophenyl)-6-hydrazinyl-N-methylpyridin-2-amine
CID 80908775
2-cyclopropyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80961398
2-cyclopropyl-4-N,5-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80982951

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine (CID 80957673) is 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine is CN(c1cccc(F)c1)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is DWAGZSAPRHSYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-19(11-4-2-3-10(15)7-11)13-8-12(16)17-14(18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H2,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 258.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).