4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C12H20N4O2 — CID 136672016

IUPAC4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(CN)C2CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-18-10-11(14-7-15-12(10)17)16-9(6-13)8-4-2-3-5-8/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyQAXYRUGBRRLWKA-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.71
Rot. Bonds5

About 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136672016) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136672016
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(CN)C2CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-18-10-11(14-7-15-12(10)17)16-9(6-13)8-4-2-3-5-8/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyQAXYRUGBRRLWKA-UHFFFAOYSA-N
XLogP0.71
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136672016) is 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(CN)C2CCCC2)nc[nH]c1=O.
What is the InChIKey of 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QAXYRUGBRRLWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-10-11(14-7-15-12(10)17)16-9(6-13)8-4-2-3-5-8/h7-9H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136672016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).