2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide

C12H19N5O — CID 71244301

IUPAC2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide
SMILESCCC1(Nc2nc(N)ncc2C(N)=O)CCCC1
InChIInChI=1S/C12H19N5O/c1-2-12(5-3-4-6-12)17-10-8(9(13)18)7-15-11(14)16-10/h7H,2-6H2,1H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyLODIEIYLJQAYIR-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide

2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide (PubChem CID 71244301) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide
PubChem CID71244301
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide
SMILESCCC1(Nc2nc(N)ncc2C(N)=O)CCCC1
InChIInChI=1S/C12H19N5O/c1-2-12(5-3-4-6-12)17-10-8(9(13)18)7-15-11(14)16-10/h7H,2-6H2,1H3,(H2,13,18)(H3,14,15,16,17)
InChIKeyLODIEIYLJQAYIR-UHFFFAOYSA-N
XLogP1.29
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide (CID 71244301) is 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide is CCC1(Nc2nc(N)ncc2C(N)=O)CCCC1.
What is the InChIKey of 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide?
The InChIKey is LODIEIYLJQAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-12(5-3-4-6-12)17-10-8(9(13)18)7-15-11(14)16-10/h7H,2-6H2,1H3,(H2,13,18)(H3,14,15,16,17).
What are the key properties of 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide?
2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1-ethylcyclopentyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71244301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).