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

C10H15N3O2S — CID 136762574

IUPAC5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(SC)CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-15-7-8(12-6-13-9(7)14)11-5-10(16-2)3-4-10/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyGPVZVAVUISKVKE-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.09
Rot. Bonds5

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

5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136762574) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136762574
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(SC)CC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-15-7-8(12-6-13-9(7)14)11-5-10(16-2)3-4-10/h6H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyGPVZVAVUISKVKE-UHFFFAOYSA-N
XLogP1.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723618
5-methoxy-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726601
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136762583
5-methoxy-4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762593
5-methoxy-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762611
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805775
5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823719
5-methoxy-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852210
5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136964198
4-(cyclopropylmethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973545
5-methoxy-4-[(2-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136975381
5-methoxy-4-(2-methylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136975800

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136762574) is 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(SC)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GPVZVAVUISKVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-7-8(12-6-13-9(7)14)11-5-10(16-2)3-4-10/h6H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 241.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136762574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).