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

C13H22N4O — CID 66319700

IUPACN-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C2CCCC2CN)ncn1
InChIInChI=1S/C13H22N4O/c1-3-18-13-7-12(15-9-16-13)17(2)11-6-4-5-10(11)8-14/h7,9-11H,3-6,8,14H2,1-2H3
InChIKeyCNLRLJDSIGKKIU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.44
Rot. Bonds5

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

N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine (PubChem CID 66319700) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine
PubChem CID66319700
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine
SMILESCCOc1cc(N(C)C2CCCC2CN)ncn1
InChIInChI=1S/C13H22N4O/c1-3-18-13-7-12(15-9-16-13)17(2)11-6-4-5-10(11)8-14/h7,9-11H,3-6,8,14H2,1-2H3
InChIKeyCNLRLJDSIGKKIU-UHFFFAOYSA-N
XLogP1.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine (CID 66319700) is N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine is CCOc1cc(N(C)C2CCCC2CN)ncn1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine?
The InChIKey is CNLRLJDSIGKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-18-13-7-12(15-9-16-13)17(2)11-6-4-5-10(11)8-14/h7,9-11H,3-6,8,14H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine?
N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-6-ethoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66319700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).