6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione

C19H20N6O3S — CID 34788383

IUPAC6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(C)nnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H20N6O3S/c1-10-4-3-5-13(8-10)24-11(2)22-23-19(24)29-9-14(26)15-16(20)25(12-6-7-12)18(28)21-17(15)27/h3-5,8,12H,6-7,9,20H2,1-2H3,(H,21,27,28)
InChIKeyPHZRTRJROKJBOB-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.63
Rot. Bonds6

About 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione

6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione (PubChem CID 34788383) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
PubChem CID34788383
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(C)nnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H20N6O3S/c1-10-4-3-5-13(8-10)24-11(2)22-23-19(24)29-9-14(26)15-16(20)25(12-6-7-12)18(28)21-17(15)27/h3-5,8,12H,6-7,9,20H2,1-2H3,(H,21,27,28)
InChIKeyPHZRTRJROKJBOB-UHFFFAOYSA-N
XLogP1.63
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-1-cyclopropyl-5-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9467636
6-amino-1-cyclopropyl-5-[2-[[5-(2-fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24518381
6-amino-1-cyclopropyl-5-[2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24518376
6-amino-5-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methylpyrimidine-2,4-dione
CID 8723615
6-amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9360291
3-[1-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 1200954
6-amino-1-cyclopropyl-5-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 24600717
6-amino-1-cyclopropyl-5-[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 46642399
6-amino-1-cyclopropyl-5-(2-pyrimidin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
CID 9360297
6-amino-5-[2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 24521406
6-amino-1-cyclopropyl-5-[2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 55578410
6-amino-1-cyclopropyl-5-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 9261805

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione (CID 34788383) is 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione is Cc1cccc(-n2c(C)nnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione?
The InChIKey is PHZRTRJROKJBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-10-4-3-5-13(8-10)24-11(2)22-23-19(24)29-9-14(26)15-16(20)25(12-6-7-12)18(28)21-17(15)27/h3-5,8,12H,6-7,9,20H2,1-2H3,(H,21,27,28).
What are the key properties of 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione?
6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione has a molecular weight of 412.48 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-5-[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 34788383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).