6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione

C10H15N3O2 — CID 174279570

IUPAC6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione
SMILESCN(c1cc(=O)[nH]c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C10H15N3O2/c1-13(7-4-2-3-5-7)8-6-9(14)12-10(15)11-8/h6-7H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyGKKHMBKPPCGNSO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.44
Rot. Bonds2

About 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione

6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione (PubChem CID 174279570) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione
PubChem CID174279570
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione
SMILESCN(c1cc(=O)[nH]c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C10H15N3O2/c1-13(7-4-2-3-5-7)8-6-9(14)12-10(15)11-8/h6-7H,2-5H2,1H3,(H2,11,12,14,15)
InChIKeyGKKHMBKPPCGNSO-UHFFFAOYSA-N
XLogP0.44
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione (CID 174279570) is 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione is CN(c1cc(=O)[nH]c(=O)[nH]1)C1CCCC1.
What is the InChIKey of 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The InChIKey is GKKHMBKPPCGNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(7-4-2-3-5-7)8-6-9(14)12-10(15)11-8/h6-7H,2-5H2,1H3,(H2,11,12,14,15).
What are the key properties of 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione?
6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(methyl)amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174279570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).