2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

C16H18FN3O — CID 80978703

IUPAC2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-c2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C16H18FN3O/c1-9-14(11-6-7-13(21-3)12(17)8-11)19-16(10-4-5-10)20-15(9)18-2/h6-8,10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyREPHDNKBQDRHCT-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.52
Rot. Bonds4

About 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80978703) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80978703
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CC2)nc(-c2ccc(OC)c(F)c2)c1C
InChIInChI=1S/C16H18FN3O/c1-9-14(11-6-7-13(21-3)12(17)8-11)19-16(10-4-5-10)20-15(9)18-2/h6-8,10H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyREPHDNKBQDRHCT-UHFFFAOYSA-N
XLogP3.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
5-(Aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236557
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamine
CID 10466996
6-(4-Phenoxybutyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155544485
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
4,5-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 3809552
N-(4-fluorophenyl)-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 3234968

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (CID 80978703) is 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C2CC2)nc(-c2ccc(OC)c(F)c2)c1C.
What is the InChIKey of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is REPHDNKBQDRHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-9-14(11-6-7-13(21-3)12(17)8-11)19-16(10-4-5-10)20-15(9)18-2/h6-8,10H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 287.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluoro-4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80978703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).