N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide

C16H22N4O2S — CID 120712257

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H22N4O2S/c1-16(2,11-17)12-20(3)23(21,22)14-9-18-15(19-10-14)13-7-5-4-6-8-13/h4-10H,11-12,17H2,1-3H3
InChIKeyIHQDIIKRWKBILG-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.75
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide (PubChem CID 120712257) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide
PubChem CID120712257
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H22N4O2S/c1-16(2,11-17)12-20(3)23(21,22)14-9-18-15(19-10-14)13-7-5-4-6-8-13/h4-10H,11-12,17H2,1-3H3
InChIKeyIHQDIIKRWKBILG-UHFFFAOYSA-N
XLogP1.75
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide (CID 120712257) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide?
The InChIKey is IHQDIIKRWKBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-16(2,11-17)12-20(3)23(21,22)14-9-18-15(19-10-14)13-7-5-4-6-8-13/h4-10H,11-12,17H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpyrimidine-5-sulfonamide is sourced from PubChem (CID 120712257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).