5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C9H14N4OS — CID 136762575

IUPAC5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C9H14N4OS/c1-15-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyQEGOYQSHEISBCM-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.66
Rot. Bonds4

About 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762575) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762575
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCSC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C9H14N4OS/c1-15-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyQEGOYQSHEISBCM-UHFFFAOYSA-N
XLogP0.66
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136762575) is 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CSC1(CNc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is QEGOYQSHEISBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-15-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 226.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).