2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one

C18H21N7O3S — CID 135558597

IUPAC2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nc(O)cc1=O
InChIInChI=1S/C18H21N7O3S/c1-11-5-3-4-6-12(11)20-17-22-13(21-16(19)24-17)10-29-18-23-14(26)9-15(27)25(18)7-8-28-2/h3-6,9,26H,7-8,10H2,1-2H3,(H3,19,20,21,22,24)
InChIKeyZPAQZWHWGRZIIO-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.71
Rot. Bonds8

About 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one

2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one (PubChem CID 135558597) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one
PubChem CID135558597
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC Name2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nc(O)cc1=O
InChIInChI=1S/C18H21N7O3S/c1-11-5-3-4-6-12(11)20-17-22-13(21-16(19)24-17)10-29-18-23-14(26)9-15(27)25(18)7-8-28-2/h3-6,9,26H,7-8,10H2,1-2H3,(H3,19,20,21,22,24)
InChIKeyZPAQZWHWGRZIIO-UHFFFAOYSA-N
XLogP1.71
TPSA141.07 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.48
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 46639132
6-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2317959
2-N-(2-methylphenyl)-6-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 112782139
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-5-cyclopropyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 2571740
1-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-4-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4682357
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135767562
2-N-(2-methylphenyl)-6-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17392170
2-N-(2-methylphenyl)-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 7891383
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2606773
2-N-(2-methoxyphenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 644453
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 55506036
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]isoindole-1,3-dione
CID 7662914

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one?
The IUPAC name of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one (CID 135558597) is 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one?
The canonical SMILES for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one is COCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nc(O)cc1=O.
What is the InChIKey of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one?
The InChIKey is ZPAQZWHWGRZIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c1-11-5-3-4-6-12(11)20-17-22-13(21-16(19)24-17)10-29-18-23-14(26)9-15(27)25(18)7-8-28-2/h3-6,9,26H,7-8,10H2,1-2H3,(H3,19,20,21,22,24).
What are the key properties of 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one?
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one has a molecular weight of 415.48 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-6-hydroxy-3-(2-methoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 135558597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).