4-(5-methoxypentylamino)-1H-pyrimidin-6-one

C10H17N3O2 — CID 136786674

IUPAC4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCOCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-15-6-4-2-3-5-11-9-7-10(14)13-8-12-9/h7-8H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeySQVVXMXXPOGBJM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds7

About 4-(5-methoxypentylamino)-1H-pyrimidin-6-one

4-(5-methoxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136786674) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-(5-methoxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-methoxypentylamino)-1H-pyrimidin-6-one
PubChem CID136786674
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCOCCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-15-6-4-2-3-5-11-9-7-10(14)13-8-12-9/h7-8H,2-6H2,1H3,(H2,11,12,13,14)
InChIKeySQVVXMXXPOGBJM-UHFFFAOYSA-N
XLogP1.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
1-(5-ethoxypentyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 138741772
4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759219
4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766323
5-chloro-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786668
4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136786669
5-bromo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786670
5-amino-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786671
5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786672
2-ethyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786675
4-(5-methoxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136786676

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-methoxypentylamino)-1H-pyrimidin-6-one (CID 136786674) is 4-(5-methoxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-methoxypentylamino)-1H-pyrimidin-6-one is COCCCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is SQVVXMXXPOGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-15-6-4-2-3-5-11-9-7-10(14)13-8-12-9/h7-8H,2-6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
4-(5-methoxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136786674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).