4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine

C14H14FN3 — CID 19874089

IUPAC4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CC2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3/c1-9-7-13(10-5-6-10)18-14(16-9)17-12-4-2-3-11(15)8-12/h2-4,7-8,10H,5-6H2,1H3,(H,16,17,18)
InChIKeyUDZNQCABLUCDGW-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.55
Rot. Bonds3

About 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine

4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine (PubChem CID 19874089) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
PubChem CID19874089
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(C2CC2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C14H14FN3/c1-9-7-13(10-5-6-10)18-14(16-9)17-12-4-2-3-11(15)8-12/h2-4,7-8,10H,5-6H2,1H3,(H,16,17,18)
InChIKeyUDZNQCABLUCDGW-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;N-phenylpyrimidin-2-amine
CID 67815515
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
2-chloro-5-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
CID 162345468
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
2-N-(3-bromophenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931864
4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]-2,3,5,6-tetradeuteriophenol
CID 169441439
2-N-(4-tert-butylphenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929285
4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931888
2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931850
4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931912

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine (CID 19874089) is 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine is Cc1cc(C2CC2)nc(Nc2cccc(F)c2)n1.
What is the InChIKey of 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine?
The InChIKey is UDZNQCABLUCDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-9-7-13(10-5-6-10)18-14(16-9)17-12-4-2-3-11(15)8-12/h2-4,7-8,10H,5-6H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine?
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine has a molecular weight of 243.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 19874089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).