N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

C15H26N4O — CID 115975050

IUPACN'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1cc(C)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-4-20-14-11-12(2)17-15(18-14)16-9-10-19(3)13-7-5-6-8-13/h11,13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyNZJSSCZOHFPRKT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.47
Rot. Bonds7

About N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 115975050) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID115975050
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1cc(C)nc(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C15H26N4O/c1-4-20-14-11-12(2)17-15(18-14)16-9-10-19(3)13-7-5-6-8-13/h11,13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyNZJSSCZOHFPRKT-UHFFFAOYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80814591
N'-cyclopropyl-N-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355111
4-(cyclopentylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80877303
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
4-(cyclohexylmethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80879785
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80823002
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
N-[(3-chlorocyclohexyl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 114146703
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 115975050) is N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is CCOc1cc(C)nc(NCCN(C)C2CCCC2)n1.
What is the InChIKey of N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is NZJSSCZOHFPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-20-14-11-12(2)17-15(18-14)16-9-10-19(3)13-7-5-6-8-13/h11,13H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(4-ethoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115975050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).