6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione

C16H15N5O3S — CID 7704238

IUPAC6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCc1nc(SCC(=O)c2c(N)n(C)c(=O)[nH]c2=O)c2ccccc2n1
InChIInChI=1S/C16H15N5O3S/c1-8-18-10-6-4-3-5-9(10)15(19-8)25-7-11(22)12-13(17)21(2)16(24)20-14(12)23/h3-6H,7,17H2,1-2H3,(H,20,23,24)
InChIKeyCAQQEYQVPUYOQK-UHFFFAOYSA-N
MW357.40 g/mol
LogP0.88
Rot. Bonds4

About 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 7704238) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID7704238
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCc1nc(SCC(=O)c2c(N)n(C)c(=O)[nH]c2=O)c2ccccc2n1
InChIInChI=1S/C16H15N5O3S/c1-8-18-10-6-4-3-5-9(10)15(19-8)25-7-11(22)12-13(17)21(2)16(24)20-14(12)23/h3-6H,7,17H2,1-2H3,(H,20,23,24)
InChIKeyCAQQEYQVPUYOQK-UHFFFAOYSA-N
XLogP0.88
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 7145291
6-amino-1-(2-methoxyethyl)-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24571774
methyl 2,4-dimethyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate
CID 84601710
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
6-amino-1-(2-methylpropyl)-5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 42456538
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
1-(2,5-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7996691
6-amino-5-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrimidine-2,4-dione
CID 8723615
1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145374
[2-(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 7701683
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 7704238) is 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione is Cc1nc(SCC(=O)c2c(N)n(C)c(=O)[nH]c2=O)c2ccccc2n1.
What is the InChIKey of 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is CAQQEYQVPUYOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-8-18-10-6-4-3-5-9(10)15(19-8)25-7-11(22)12-13(17)21(2)16(24)20-14(12)23/h3-6H,7,17H2,1-2H3,(H,20,23,24).
What are the key properties of 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 357.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 7704238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).