5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide

C11H18N4O3 — CID 107625809

IUPAC5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide
SMILESCOc1cc(OC)nc(NC(=O)CCCCN)n1
InChIInChI=1S/C11H18N4O3/c1-17-9-7-10(18-2)15-11(14-9)13-8(16)5-3-4-6-12/h7H,3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyFVCLZGVLMYYJJD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.56
Rot. Bonds7

About 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide

5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide (PubChem CID 107625809) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide
PubChem CID107625809
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide
SMILESCOc1cc(OC)nc(NC(=O)CCCCN)n1
InChIInChI=1S/C11H18N4O3/c1-17-9-7-10(18-2)15-11(14-9)13-8(16)5-3-4-6-12/h7H,3-6,12H2,1-2H3,(H,13,14,15,16)
InChIKeyFVCLZGVLMYYJJD-UHFFFAOYSA-N
XLogP0.56
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide?
The IUPAC name of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide (CID 107625809) is 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide.
What is the SMILES notation for 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide?
The canonical SMILES for 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide is COc1cc(OC)nc(NC(=O)CCCCN)n1.
What is the InChIKey of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide?
The InChIKey is FVCLZGVLMYYJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-17-9-7-10(18-2)15-11(14-9)13-8(16)5-3-4-6-12/h7H,3-6,12H2,1-2H3,(H,13,14,15,16).
What are the key properties of 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide?
5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide has a molecular weight of 254.29 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,6-dimethoxypyrimidin-2-yl)pentanamide is sourced from PubChem (CID 107625809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).