2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine

C17H20FN3 — CID 80977815

IUPAC2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(-c2cccc(F)c2)c1C
InChIInChI=1S/C17H20FN3/c1-3-9-19-16-11(2)15(13-5-4-6-14(18)10-13)20-17(21-16)12-7-8-12/h4-6,10,12H,3,7-9H2,1-2H3,(H,19,20,21)
InChIKeyANDBGQGKZXEMLP-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.29
Rot. Bonds5

About 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine

2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80977815) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80977815
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(-c2cccc(F)c2)c1C
InChIInChI=1S/C17H20FN3/c1-3-9-19-16-11(2)15(13-5-4-6-14(18)10-13)20-17(21-16)12-7-8-12/h4-6,10,12H,3,7-9H2,1-2H3,(H,19,20,21)
InChIKeyANDBGQGKZXEMLP-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
5-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]thiophene-2-carbonitrile
CID 80978097
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80970425
2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 80952396
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
2-cyclopropyl-6-(4-fluoro-3-methylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80975820
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine (CID 80977815) is 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(-c2cccc(F)c2)c1C.
What is the InChIKey of 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is ANDBGQGKZXEMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-3-9-19-16-11(2)15(13-5-4-6-14(18)10-13)20-17(21-16)12-7-8-12/h4-6,10,12H,3,7-9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80977815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).