2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C17H29N3O — CID 116775828

IUPAC2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(CC)c(NC)n2)CCCCCC1
InChIInChI=1S/C17H29N3O/c1-5-14-13(3)19-16(20-15(14)18-4)17(21-6-2)11-9-7-8-10-12-17/h5-12H2,1-4H3,(H,18,19,20)
InChIKeyBMJTXQUQQRHCKY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds5

About 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 116775828) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID116775828
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCOC1(c2nc(C)c(CC)c(NC)n2)CCCCCC1
InChIInChI=1S/C17H29N3O/c1-5-14-13(3)19-16(20-15(14)18-4)17(21-6-2)11-9-7-8-10-12-17/h5-12H2,1-4H3,(H,18,19,20)
InChIKeyBMJTXQUQQRHCKY-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775825
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116775726
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 116775828) is 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCOC1(c2nc(C)c(CC)c(NC)n2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is BMJTXQUQQRHCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-14-13(3)19-16(20-15(14)18-4)17(21-6-2)11-9-7-8-10-12-17/h5-12H2,1-4H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116775828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).