5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

C17H24N4O3S — CID 53490732

IUPAC5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1
InChIInChI=1S/C17H24N4O3S/c1-4-10-21(11-5-2)17-19-12-15(16(18)20-17)25(22,23)14-8-6-13(24-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyFHTBZGTYWWFWOZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.53
Rot. Bonds8

About 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 53490732) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID53490732
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1
InChIInChI=1S/C17H24N4O3S/c1-4-10-21(11-5-2)17-19-12-15(16(18)20-17)25(22,23)14-8-6-13(24-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyFHTBZGTYWWFWOZ-UHFFFAOYSA-N
XLogP2.53
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 669141
4-(2,2-Dimethylpropylamino)-5-[3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile
CID 10367993
2-{4-[(4-Ethoxyphenyl)sulfonyl]-1-piperazinyl}pyrimidine
CID 6469507
(E)-3-fluoro-2-((4-(((2-(pyrrolidin-1-yl)pyrimidin-5-yl)methyl)sulfonyl)phenoxy)methyl) prop-2-en-1-amine
CID 156362720
5-methoxy-4-[(4-methoxyphenyl)sulfanyl]-N,N-dimethyl-2-pyrimidinamine
CID 1479127
5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 155519258
Methyl 4-{[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl}phenyl ether
CID 897205
Pyrimidine, 2,4-diamino-5-(p-methoxyphenylthio)-
CID 23423598
N-(2-(dimethylamino)pyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 71790160
5-Methyl-4-(4-((4-(trifluoromethoxy)phenyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 71795091
N-((4-(piperidin-1-yl)pyrimidin-2-yl)methyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 72718080
N-(4-(dimethylamino)-2-ethoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 76148056

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 53490732) is 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ncc(S(=O)(=O)c2ccc(OC)cc2)c(N)n1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is FHTBZGTYWWFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-10-21(11-5-2)17-19-12-15(16(18)20-17)25(22,23)14-8-6-13(24-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 364.47 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfonyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 53490732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).