2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine

C16H27N3O — CID 116775599

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(C2(OCC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O/c1-4-6-13-11-14(17)19-15(18-13)16(20-5-2)9-7-12(3)8-10-16/h11-12H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyQQYQYFFVIWKFFC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.45
Rot. Bonds5

About 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine

2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine (PubChem CID 116775599) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
PubChem CID116775599
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(N)nc(C2(OCC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O/c1-4-6-13-11-14(17)19-15(18-13)16(20-5-2)9-7-12(3)8-10-16/h11-12H,4-10H2,1-3H3,(H2,17,18,19)
InChIKeyQQYQYFFVIWKFFC-UHFFFAOYSA-N
XLogP3.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethoxy-4-methylcyclohexyl)-6-propyl-1,3,5-triazin-2-amine
CID 116781918
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
CID 116776273
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116777542
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine
CID 116776738
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776204

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine (CID 116775599) is 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine is CCCc1cc(N)nc(C2(OCC)CCC(C)CC2)n1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine?
The InChIKey is QQYQYFFVIWKFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-6-13-11-14(17)19-15(18-13)16(20-5-2)9-7-12(3)8-10-16/h11-12H,4-10H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine?
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116775599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).