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

C13H20N4O — CID 159800325

IUPAC2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide
SMILESCCC1(Cc2nc(N)ncc2C(N)=O)CCCC1
InChIInChI=1S/C13H20N4O/c1-2-13(5-3-4-6-13)7-10-9(11(14)18)8-16-12(15)17-10/h8H,2-7H2,1H3,(H2,14,18)(H2,15,16,17)
InChIKeyVEEFEVCLRHJORM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds4

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

2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide (PubChem CID 159800325) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide
PubChem CID159800325
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide
SMILESCCC1(Cc2nc(N)ncc2C(N)=O)CCCC1
InChIInChI=1S/C13H20N4O/c1-2-13(5-3-4-6-13)7-10-9(11(14)18)8-16-12(15)17-10/h8H,2-7H2,1H3,(H2,14,18)(H2,15,16,17)
InChIKeyVEEFEVCLRHJORM-UHFFFAOYSA-N
XLogP1.67
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide (CID 159800325) is 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide is CCC1(Cc2nc(N)ncc2C(N)=O)CCCC1.
What is the InChIKey of 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is VEEFEVCLRHJORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-13(5-3-4-6-13)7-10-9(11(14)18)8-16-12(15)17-10/h8H,2-7H2,1H3,(H2,14,18)(H2,15,16,17).
What are the key properties of 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide?
2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 159800325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).