N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine

C14H23N3O — CID 122569417

IUPACN-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCC1(CNc2nc(C)cc(C)n2)CCCC1
InChIInChI=1S/C14H23N3O/c1-11-8-12(2)17-13(16-11)15-9-14(10-18-3)6-4-5-7-14/h8H,4-7,9-10H2,1-3H3,(H,15,16,17)
InChIKeyIGEUSQBHJBVCBZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.71
Rot. Bonds5

About N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine

N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 122569417) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID122569417
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOCC1(CNc2nc(C)cc(C)n2)CCCC1
InChIInChI=1S/C14H23N3O/c1-11-8-12(2)17-13(16-11)15-9-14(10-18-3)6-4-5-7-14/h8H,4-7,9-10H2,1-3H3,(H,15,16,17)
InChIKeyIGEUSQBHJBVCBZ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine (CID 122569417) is N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine is COCC1(CNc2nc(C)cc(C)n2)CCCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is IGEUSQBHJBVCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-8-12(2)17-13(16-11)15-9-14(10-18-3)6-4-5-7-14/h8H,4-7,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine?
N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopentyl]methyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 122569417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).