6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine

C14H23N3O — CID 80877477

IUPAC6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(OCC2CCCC2)c1CC
InChIInChI=1S/C14H23N3O/c1-3-12-13(15-4-2)16-10-17-14(12)18-9-11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyPAEOMJVSNFXPST-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.04
Rot. Bonds6

About 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine

6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine (PubChem CID 80877477) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
PubChem CID80877477
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(OCC2CCCC2)c1CC
InChIInChI=1S/C14H23N3O/c1-3-12-13(15-4-2)16-10-17-14(12)18-9-11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyPAEOMJVSNFXPST-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylmethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80880319
6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
CID 114248317
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-[(E)-but-2-enoxy]-N,5-diethylpyrimidin-4-amine
CID 80872166
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80777757
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine (CID 80877477) is 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(OCC2CCCC2)c1CC.
What is the InChIKey of 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine?
The InChIKey is PAEOMJVSNFXPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-12-13(15-4-2)16-10-17-14(12)18-9-11-7-5-6-8-11/h10-11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine?
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80877477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).