5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

C16H22N4O2S — CID 53490651

IUPAC5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C16H22N4O2S/c1-3-10-20(11-4-2)16-18-12-14(15(17)19-16)23(21,22)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyUMFATTWTTCXXCX-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.52
Rot. Bonds7

About 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine

5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 53490651) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID53490651
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1
InChIInChI=1S/C16H22N4O2S/c1-3-10-20(11-4-2)16-18-12-14(15(17)19-16)23(21,22)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyUMFATTWTTCXXCX-UHFFFAOYSA-N
XLogP2.52
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 53490651) is 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1.
What is the InChIKey of 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is UMFATTWTTCXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-3-10-20(11-4-2)16-18-12-14(15(17)19-16)23(21,22)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine?
5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 334.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 53490651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).