[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol

C14H15Cl2N3OS — CID 139380415

IUPAC[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol
SMILESCC(C)Sc1c(CO)cccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C14H15Cl2N3OS/c1-8(2)21-12-9(7-20)4-3-5-11(12)18-13-10(15)6-17-14(16)19-13/h3-6,8,20H,7H2,1-2H3,(H,17,18,19)
InChIKeyHCHQCSLIFAWNSG-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.52
Rot. Bonds5

About [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol

[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol (PubChem CID 139380415) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol.

Molecular Properties

Compound Name[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol
PubChem CID139380415
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol
SMILESCC(C)Sc1c(CO)cccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C14H15Cl2N3OS/c1-8(2)21-12-9(7-20)4-3-5-11(12)18-13-10(15)6-17-14(16)19-13/h3-6,8,20H,7H2,1-2H3,(H,17,18,19)
InChIKeyHCHQCSLIFAWNSG-UHFFFAOYSA-N
XLogP4.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
CID 167216908
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
CID 175424607
[4-[[5-chloro-4-[2-(dimethylaminosulfanyl)anilino]pyrimidin-2-yl]amino]phenyl]methanol
CID 170011866

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol?
The IUPAC name of [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol (CID 139380415) is [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol.
What is the SMILES notation for [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol?
The canonical SMILES for [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol is CC(C)Sc1c(CO)cccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol?
The InChIKey is HCHQCSLIFAWNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-8(2)21-12-9(7-20)4-3-5-11(12)18-13-10(15)6-17-14(16)19-13/h3-6,8,20H,7H2,1-2H3,(H,17,18,19).
What are the key properties of [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol?
[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol has a molecular weight of 344.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol is sourced from PubChem (CID 139380415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).