4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136786669

IUPAC4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-9-13-10(8-11(15)14-9)12-6-4-3-5-7-16-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyKFTZFTOXLBWYGS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.31
Rot. Bonds7

About 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one

4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136786669) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136786669
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-9-13-10(8-11(15)14-9)12-6-4-3-5-7-16-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyKFTZFTOXLBWYGS-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.31
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

2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136689848
4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136689851
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136755777
4-(5-hydroxypentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136759213
4-(5-hydroxypentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136759214
2-cyclopropyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759218
2-ethyl-4-(5-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136759221
2-ethyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766320
4-[5-hydroxypentyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136766327
4-[(3-methoxycyclopentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136785539

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one (CID 136786669) is 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one is COCCCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KFTZFTOXLBWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-13-10(8-11(15)14-9)12-6-4-3-5-7-16-2/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one?
4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxypentylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136786669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).