4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 137016441

IUPAC4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCOC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-17-10-11(14-8-15-12(10)16)13-6-7-18-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyOYVGXVMFOUZNNU-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.15
Rot. Bonds6

About 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one

4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137016441) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID137016441
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCCOC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O3/c1-17-10-11(14-8-15-12(10)16)13-6-7-18-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyOYVGXVMFOUZNNU-UHFFFAOYSA-N
XLogP1.15
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240525
5-methoxy-4-pentoxy-1H-pyrimidin-6-one
CID 103240845
5-methoxy-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 103242100
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
4-[(3-ethoxycyclobutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136696625
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
4-[2-(cyclopropylmethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764983
4-[3-(cyclopropylmethoxy)propylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136764993
5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820288
5-methoxy-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883387
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896837

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one (CID 137016441) is 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NCCOC2CCCC2)nc[nH]c1=O.
What is the InChIKey of 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is OYVGXVMFOUZNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-10-11(14-8-15-12(10)16)13-6-7-18-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137016441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).