5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one

C10H15N3O2S — CID 136823719

IUPAC5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCSC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-15-8-9(12-6-13-10(8)14)11-4-7-2-3-16-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyTVCWDCSBNMEFBW-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.94
Rot. Bonds4

About 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one

5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136823719) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136823719
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCSC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-15-8-9(12-6-13-10(8)14)11-4-7-2-3-16-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyTVCWDCSBNMEFBW-UHFFFAOYSA-N
XLogP0.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.94
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
5-methoxy-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762574
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
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805775
4-[(2-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136811842
5-methoxy-4-(2-prop-2-ynylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842326
5-methoxy-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136964198
5-methoxy-4-[(2-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964251
5-methoxy-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136964265
4-[(3-ethylsulfanylcyclopentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136964267

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136823719) is 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one is COc1c(NCC2CCSC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is TVCWDCSBNMEFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-8-9(12-6-13-10(8)14)11-4-7-2-3-16-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 241.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136823719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).