4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine

C13H16N6O — CID 177165307

IUPAC4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(-c2c(OC)ncnc2C2CC2)n1
InChIInChI=1S/C13H16N6O/c1-3-8-17-11(19-13(14)18-8)9-10(7-4-5-7)15-6-16-12(9)20-2/h6-7H,3-5H2,1-2H3,(H2,14,17,18,19)
InChIKeyAFPJHIJRNWXVDI-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.36
Rot. Bonds4

About 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine

4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 177165307) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine
PubChem CID177165307
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(-c2c(OC)ncnc2C2CC2)n1
InChIInChI=1S/C13H16N6O/c1-3-8-17-11(19-13(14)18-8)9-10(7-4-5-7)15-6-16-12(9)20-2/h6-7H,3-5H2,1-2H3,(H2,14,17,18,19)
InChIKeyAFPJHIJRNWXVDI-UHFFFAOYSA-N
XLogP1.36
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 177165344
ethyl (E)-3-[4-amino-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrimidin-5-yl]prop-2-enoate
CID 175950625
5-chloro-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-methylsulfanylpyrimidine
CID 172585981
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2,3,5,7-tetrazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraene
CID 171405873
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(difluoromethyl)-4-methylsulfanylpyrimidine
CID 172586320
N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine
CID 172585709
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-pyrrolidin-1-yl-7H-purine
CID 177142081
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-(2-fluoro-2-propylhexoxy)-5-methoxypyrimidine
CID 172585866
4-cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172586381
2-[[3-bromo-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 171781729
CID 170707681
CID 170707681

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine (CID 177165307) is 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(-c2c(OC)ncnc2C2CC2)n1.
What is the InChIKey of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is AFPJHIJRNWXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-3-8-17-11(19-13(14)18-8)9-10(7-4-5-7)15-6-16-12(9)20-2/h6-7H,3-5H2,1-2H3,(H2,14,17,18,19).
What are the key properties of 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine?
4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 177165307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).