5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one

C10H18N4OS — CID 136896820

IUPAC5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one
SMILESCSCCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4OS/c1-16-6-4-2-3-5-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeySQLAGGBFJQHDDC-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.30
Rot. Bonds7

About 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one

5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one (PubChem CID 136896820) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one
PubChem CID136896820
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one
SMILESCSCCCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4OS/c1-16-6-4-2-3-5-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15)
InChIKeySQLAGGBFJQHDDC-UHFFFAOYSA-N
XLogP1.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one (CID 136896820) is 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one is CSCCCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one?
The InChIKey is SQLAGGBFJQHDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-16-6-4-2-3-5-12-9-8(11)10(15)14-7-13-9/h7H,2-6,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one?
5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one has a molecular weight of 242.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-methylsulfanylpentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136896820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).