6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione

C19H21N5O3S — CID 7145291

IUPAC6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nc(C)nc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C19H21N5O3S/c1-4-9-24-16(20)15(18(26)23(3)19(24)27)14(25)10-28-17-12-7-5-6-8-13(12)21-11(2)22-17/h5-8H,4,9-10,20H2,1-3H3
InChIKeyNBWGRYBKRVBYJL-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.77
Rot. Bonds6

About 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 7145291) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
PubChem CID7145291
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2nc(C)nc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C19H21N5O3S/c1-4-9-24-16(20)15(18(26)23(3)19(24)27)14(25)10-28-17-12-7-5-6-8-13(12)21-11(2)22-17/h5-8H,4,9-10,20H2,1-3H3
InChIKeyNBWGRYBKRVBYJL-UHFFFAOYSA-N
XLogP1.77
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-3-methyl-1-propyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9324737
6-amino-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16534778
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 16535636
6-amino-1-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 7704238
6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 6416531
6-amino-3-methyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4304150
6-amino-1-benzyl-3-methyl-5-[2-(4-methylquinolin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 4644691
6-amino-1-benzyl-5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-3-methylpyrimidine-2,4-dione
CID 16534766
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 16526311
6-amino-5-[2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2504021
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471
6-amino-5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16524252

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (CID 7145291) is 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nc(C)nc3ccccc23)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is NBWGRYBKRVBYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-4-9-24-16(20)15(18(26)23(3)19(24)27)14(25)10-28-17-12-7-5-6-8-13(12)21-11(2)22-17/h5-8H,4,9-10,20H2,1-3H3.
What are the key properties of 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 399.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 7145291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).