2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide

C13H24N4O2S — CID 62153122

IUPAC2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(CC(C)C)C(C)C)cn1
InChIInChI=1S/C13H24N4O2S/c1-6-14-13-15-7-12(8-16-13)20(18,19)17(11(4)5)9-10(2)3/h7-8,10-11H,6,9H2,1-5H3,(H,14,15,16)
InChIKeyKTTWSGJLQXKQTM-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.96
Rot. Bonds7

About 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide

2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 62153122) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID62153122
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(CC(C)C)C(C)C)cn1
InChIInChI=1S/C13H24N4O2S/c1-6-14-13-15-7-12(8-16-13)20(18,19)17(11(4)5)9-10(2)3/h7-8,10-11H,6,9H2,1-5H3,(H,14,15,16)
InChIKeyKTTWSGJLQXKQTM-UHFFFAOYSA-N
XLogP1.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine-5-sulfonamide
CID 19091293
2-Aminopyrimidine-5-sulfonyl chloride
CID 15885618
2-Amino-5-pyrimidinesulfonamide
CID 53420996
2-amino-N,N-dimethylpyrimidine-5-sulfonamide
CID 62150682
3-Methyl-4H-pyrimido[4,5-e][1,2,4]thiadiazine-1,1-dioxide
CID 70334143
4-Aminopyrimidine-5-sulfonamide
CID 129709064
2-Fluoropyrimidine-5-sulfonamide
CID 17804387
2-(1,3-Difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66730591
N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide
CID 66730592
N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 67616179
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 68760263
N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
CID 68760264

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide (CID 62153122) is 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)N(CC(C)C)C(C)C)cn1.
What is the InChIKey of 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is KTTWSGJLQXKQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-6-14-13-15-7-12(8-16-13)20(18,19)17(11(4)5)9-10(2)3/h7-8,10-11H,6,9H2,1-5H3,(H,14,15,16).
What are the key properties of 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62153122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).