5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine

C15H20ClN5O2S — CID 141202765

IUPAC5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1cc(N(C)C)ccc1Nc1nc(N)ncc1Cl
InChIInChI=1S/C15H20ClN5O2S/c1-9(2)24(22,23)13-7-10(21(3)4)5-6-12(13)19-14-11(16)8-18-15(17)20-14/h5-9H,1-4H3,(H3,17,18,19,20)
InChIKeyDOXNAXJGDXLYJF-UHFFFAOYSA-N
MW369.88 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine

5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine (PubChem CID 141202765) has the molecular formula C15H20ClN5O2S and a molecular weight of 369.88 g/mol. Its IUPAC name is 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine
PubChem CID141202765
Molecular FormulaC15H20ClN5O2S
Molecular Weight369.88 g/mol
Exact Mass369.10
IUPAC Name5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1cc(N(C)C)ccc1Nc1nc(N)ncc1Cl
InChIInChI=1S/C15H20ClN5O2S/c1-9(2)24(22,23)13-7-10(21(3)4)5-6-12(13)19-14-11(16)8-18-15(17)20-14/h5-9H,1-4H3,(H3,17,18,19,20)
InChIKeyDOXNAXJGDXLYJF-UHFFFAOYSA-N
XLogP2.70
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
5-chloro-4-N-(2,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80759585
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078
3-[(2,5-dichloropyrimidin-4-yl)amino]-4-propan-2-ylsulfonylbenzonitrile
CID 155291869
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
CID 88854431
CID 88854431
2-N-[5-(2-aminoethyl)-2-methoxyphenyl]-5-chloro-4-N-(4-fluoro-2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 122629188
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
5-chloro-2-N-(2,5-dimethylpyrazol-3-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 58235543
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3,3-dimethyl-2-benzofuran-1-one
CID 170647953
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]benzoic acid
CID 155549635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine (CID 141202765) is 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1cc(N(C)C)ccc1Nc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine?
The InChIKey is DOXNAXJGDXLYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2S/c1-9(2)24(22,23)13-7-10(21(3)4)5-6-12(13)19-14-11(16)8-18-15(17)20-14/h5-9H,1-4H3,(H3,17,18,19,20).
What are the key properties of 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine?
5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine has a molecular weight of 369.88 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[4-(dimethylamino)-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 141202765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).