6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C14H22N4O3 — CID 16576366

IUPAC6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCC1
InChIInChI=1S/C14H22N4O3/c1-16(9-6-4-5-7-9)8-10(19)11-12(15)17(2)14(21)18(3)13(11)20/h9H,4-8,15H2,1-3H3
InChIKeyNLGKJHSVPOEAAT-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.28
Rot. Bonds4

About 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 16576366) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID16576366
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCC1
InChIInChI=1S/C14H22N4O3/c1-16(9-6-4-5-7-9)8-10(19)11-12(15)17(2)14(21)18(3)13(11)20/h9H,4-8,15H2,1-3H3
InChIKeyNLGKJHSVPOEAAT-UHFFFAOYSA-N
XLogP-0.28
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 16576366) is 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCC1.
What is the InChIKey of 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NLGKJHSVPOEAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-16(9-6-4-5-7-9)8-10(19)11-12(15)17(2)14(21)18(3)13(11)20/h9H,4-8,15H2,1-3H3.
What are the key properties of 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[cyclopentyl(methyl)amino]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 16576366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).