2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one

C14H16N4O2S — CID 135895322

IUPAC2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2ccc(N)c(OCC3CC3)n2)n1
InChIInChI=1S/C14H16N4O2S/c1-8-6-11(19)17-14(16-8)21-12-5-4-10(15)13(18-12)20-7-9-2-3-9/h4-6,9H,2-3,7,15H2,1H3,(H,16,17,19)
InChIKeyXOMZMDSNISUWTJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.00
Rot. Bonds5

About 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one

2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135895322) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135895322
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2ccc(N)c(OCC3CC3)n2)n1
InChIInChI=1S/C14H16N4O2S/c1-8-6-11(19)17-14(16-8)21-12-5-4-10(15)13(18-12)20-7-9-2-3-9/h4-6,9H,2-3,7,15H2,1H3,(H,16,17,19)
InChIKeyXOMZMDSNISUWTJ-UHFFFAOYSA-N
XLogP2.00
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(cyclopropylmethoxy)-6-phenylsulfanylpyridin-3-amine
CID 43262642
2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 63538557
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol
CID 43617394
2-(cyclopropylmethoxy)-6-(oxetan-3-ylsulfanyl)pyridin-3-amine
CID 79326045
2-(cyclopropylmethoxy)-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 63537895
2-(cyclopropylmethoxy)-6-(2-methyloxolan-3-yl)sulfanylpyridin-3-amine
CID 107747654
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700
6-(5-bromo-2-methylphenoxy)-2-(cyclopropylmethoxy)pyridin-3-amine
CID 107283325
2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968118
2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135876353
4-[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-3-methylpiperazine-2,6-dione
CID 66061314
6-(cyclopropylmethoxy)-2-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 62323028

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one (CID 135895322) is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Sc2ccc(N)c(OCC3CC3)n2)n1.
What is the InChIKey of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XOMZMDSNISUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-6-11(19)17-14(16-8)21-12-5-4-10(15)13(18-12)20-7-9-2-3-9/h4-6,9H,2-3,7,15H2,1H3,(H,16,17,19).
What are the key properties of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one?
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 304.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135895322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).