N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine

C15H26N4O — CID 66333196

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(N(CC)C2CCCC2CN)ncn1
InChIInChI=1S/C15H26N4O/c1-3-8-20-15-9-14(17-11-18-15)19(4-2)13-7-5-6-12(13)10-16/h9,11-13H,3-8,10,16H2,1-2H3
InChIKeyVBRKDDFFWOHSLI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine (PubChem CID 66333196) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine
PubChem CID66333196
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(N(CC)C2CCCC2CN)ncn1
InChIInChI=1S/C15H26N4O/c1-3-8-20-15-9-14(17-11-18-15)19(4-2)13-7-5-6-12(13)10-16/h9,11-13H,3-8,10,16H2,1-2H3
InChIKeyVBRKDDFFWOHSLI-UHFFFAOYSA-N
XLogP2.22
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
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]-N-ethyl-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine (CID 66333196) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine is CCCOc1cc(N(CC)C2CCCC2CN)ncn1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine?
The InChIKey is VBRKDDFFWOHSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-8-20-15-9-14(17-11-18-15)19(4-2)13-7-5-6-12(13)10-16/h9,11-13H,3-8,10,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66333196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).