6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione

C12H20N4O2 — CID 143109466

IUPAC6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-15-10(13)9(11(17)16(2)12(15)18)14-7-8-5-3-4-6-8/h8,14H,3-7,13H2,1-2H3
InChIKeyOYLQVJRHRXHWCG-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.27
Rot. Bonds3

About 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 143109466) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID143109466
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-15-10(13)9(11(17)16(2)12(15)18)14-7-8-5-3-4-6-8/h8,14H,3-7,13H2,1-2H3
InChIKeyOYLQVJRHRXHWCG-UHFFFAOYSA-N
XLogP0.27
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 143109466) is 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(NCC2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is OYLQVJRHRXHWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-10(13)9(11(17)16(2)12(15)18)14-7-8-5-3-4-6-8/h8,14H,3-7,13H2,1-2H3.
What are the key properties of 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(cyclopentylmethylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 143109466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).