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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Related Compounds

Sulfaperin
CID 68933
2-Tosyliminopyrimidine
CID 403569
4-(1-Pyrimidin-5-yl-4,5-dihydroimidazol-2-yl)benzenesulfonamide
CID 145952940
1-[1-(benzenesulfonyl)-5-pyrimidin-5-ylpyrrol-3-yl]-N-methylmethanamine
CID 66925305
5-(tert-Butylsulfonyl)-2-(4-chlorophenyl)pyrimidin-4-amine
CID 546665
5-(tert-Butylsulfonyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 603738
6-(benzylamino)-N,N-diethyl-3-pyridinesulfonamide
CID 829837
2-Phenyl-5-(phenylsulfonyl)-4-piperidinopyrimidine
CID 1487970
5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpyrimidin-4-amine
CID 1487974
5-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)-2-phenylpyrimidine
CID 1487975
N,N-diethyl-5-[(4-methylphenyl)sulfonyl]-2-phenyl-4-pyrimidinamine
CID 1488911
N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide
CID 3233033

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).