4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C10H18N4O3 — CID 137011790

IUPAC4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H18N4O3/c1-16-5-7(11)3-4-12-9-8(17-2)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyXUQJPZQINPQTPT-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.45
Rot. Bonds7

About 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 137011790) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID137011790
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H18N4O3/c1-16-5-7(11)3-4-12-9-8(17-2)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyXUQJPZQINPQTPT-UHFFFAOYSA-N
XLogP-0.45
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137008774
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-(3-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 137008775
5-methoxy-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975974
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 136976704
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975614
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 137011790) is 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is COCC(N)CCNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XUQJPZQINPQTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-16-5-7(11)3-4-12-9-8(17-2)10(15)14-6-13-9/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxybutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 137011790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).