6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine

C14H23N3O — CID 66327746

IUPAC6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCC2(C)CCCC2)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-4-18-13-9-12(16-11(2)17-13)15-10-14(3)7-5-6-8-14/h9H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyYCOWERDQGHCVHF-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.18
Rot. Bonds5

About 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine

6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine (PubChem CID 66327746) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
PubChem CID66327746
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
SMILESCCOc1cc(NCC2(C)CCCC2)nc(C)n1
InChIInChI=1S/C14H23N3O/c1-4-18-13-9-12(16-11(2)17-13)15-10-14(3)7-5-6-8-14/h9H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyYCOWERDQGHCVHF-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine (CID 66327746) is 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine is CCOc1cc(NCC2(C)CCCC2)nc(C)n1.
What is the InChIKey of 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
The InChIKey is YCOWERDQGHCVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-18-13-9-12(16-11(2)17-13)15-10-14(3)7-5-6-8-14/h9H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine?
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66327746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).