6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine

C16H25N3O — CID 116730104

IUPAC6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
SMILESCCOC(c1nc(NC)cc(C2CCCC2)n1)C1CC1
InChIInChI=1S/C16H25N3O/c1-3-20-15(12-8-9-12)16-18-13(10-14(17-2)19-16)11-6-4-5-7-11/h10-12,15H,3-9H2,1-2H3,(H,17,18,19)
InChIKeySJVASCDXDGGXRC-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.66
Rot. Bonds6

About 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine

6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine (PubChem CID 116730104) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
PubChem CID116730104
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
SMILESCCOC(c1nc(NC)cc(C2CCCC2)n1)C1CC1
InChIInChI=1S/C16H25N3O/c1-3-20-15(12-8-9-12)16-18-13(10-14(17-2)19-16)11-6-4-5-7-11/h10-12,15H,3-9H2,1-2H3,(H,17,18,19)
InChIKeySJVASCDXDGGXRC-UHFFFAOYSA-N
XLogP3.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729036
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116728820
[2-[cyclohexyl(ethoxy)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116777584
6-cyclopentyl-2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
CID 116777398
6-cyclopentyl-2-(1-methoxypropyl)-N-propylpyrimidin-4-amine
CID 116730122
2-[cyclopropyl(ethoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728413
4-tert-butyl-6-chloro-2-[cyclohexyl(ethoxy)methyl]pyrimidine
CID 116745713
2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
CID 116730994
6-cyclopentyl-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 104611786
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 116778533
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine (CID 116730104) is 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine is CCOC(c1nc(NC)cc(C2CCCC2)n1)C1CC1.
What is the InChIKey of 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is SJVASCDXDGGXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-20-15(12-8-9-12)16-18-13(10-14(17-2)19-16)11-6-4-5-7-11/h10-12,15H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine?
6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116730104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).