2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine

C19H20N4O2S — CID 4604269

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine
SMILESCOc1cc(OC)nc(C(Sc2nc(C)cc(C)n2)c2ccccc2)n1
InChIInChI=1S/C19H20N4O2S/c1-12-10-13(2)21-19(20-12)26-17(14-8-6-5-7-9-14)18-22-15(24-3)11-16(23-18)25-4/h5-11,17H,1-4H3
InChIKeyARVPMKPAFWLWHA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.78
Rot. Bonds6

About 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine

2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine (PubChem CID 4604269) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine
PubChem CID4604269
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine
SMILESCOc1cc(OC)nc(C(Sc2nc(C)cc(C)n2)c2ccccc2)n1
InChIInChI=1S/C19H20N4O2S/c1-12-10-13(2)21-19(20-12)26-17(14-8-6-5-7-9-14)18-22-15(24-3)11-16(23-18)25-4/h5-11,17H,1-4H3
InChIKeyARVPMKPAFWLWHA-UHFFFAOYSA-N
XLogP3.78
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(S)-(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylethylazanium
CID 6995164
1-chloro-3-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylanilino]propan-2-ol
CID 168640260
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64634885
dimethyl (E)-2-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylanilino]but-2-enedioate
CID 168567399
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetic acid
CID 735994
N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylphenyl]-3-(trifluoromethyl)benzamide
CID 4689726
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1-phenylpropan-1-amine
CID 64633701
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid
CID 3070920
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
2-(difluoromethyl)-4-methoxy-6-methylpyrimidine
CID 176691048
2-[1-(4,6-dimethoxypyrimidin-2-yl)ethyl]aniline
CID 54248163

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine (CID 4604269) is 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine is COc1cc(OC)nc(C(Sc2nc(C)cc(C)n2)c2ccccc2)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine?
The InChIKey is ARVPMKPAFWLWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-10-13(2)21-19(20-12)26-17(14-8-6-5-7-9-14)18-22-15(24-3)11-16(23-18)25-4/h5-11,17H,1-4H3.
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine?
2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine has a molecular weight of 368.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-4,6-dimethylpyrimidine is sourced from PubChem (CID 4604269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).