2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H25N3O — CID 116775726

IUPAC2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCOC1(c2nc3c(c(NC)n2)CCC3)CCCCC1
InChIInChI=1S/C16H25N3O/c1-3-20-16(10-5-4-6-11-16)15-18-13-9-7-8-12(13)14(17-2)19-15/h3-11H2,1-2H3,(H,17,18,19)
InChIKeyAPCPSVCFDDTWHD-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 116775726) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID116775726
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCOC1(c2nc3c(c(NC)n2)CCC3)CCCCC1
InChIInChI=1S/C16H25N3O/c1-3-20-16(10-5-4-6-11-16)15-18-13-9-7-8-12(13)14(17-2)19-15/h3-11H2,1-2H3,(H,17,18,19)
InChIKeyAPCPSVCFDDTWHD-UHFFFAOYSA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxycyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777476
2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775825
2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775828
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412
[2-(1-methoxycyclohexyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116777686
2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116776019
N-methyl-2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80681636
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775670
2-(1-ethoxycycloheptyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740756
4-chloro-2-(1-methoxycycloheptyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 116745833
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
2-(1-ethoxycycloheptyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776166

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 116775726) is 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCOC1(c2nc3c(c(NC)n2)CCC3)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is APCPSVCFDDTWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-20-16(10-5-4-6-11-16)15-18-13-9-7-8-12(13)14(17-2)19-15/h3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 116775726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).