2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide

C14H26N4O2S — CID 102907919

IUPAC2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC(C(C)C)C(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-6-15-14-16-7-12(8-17-14)21(19,20)18-9-13(10(2)3)11(4)5/h7-8,10-11,13,18H,6,9H2,1-5H3,(H,15,16,17)
InChIKeyKJUIEODHRIMLNI-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.11
Rot. Bonds8

About 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide (PubChem CID 102907919) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
PubChem CID102907919
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC(C(C)C)C(C)C)cn1
InChIInChI=1S/C14H26N4O2S/c1-6-15-14-16-7-12(8-17-14)21(19,20)18-9-13(10(2)3)11(4)5/h7-8,10-11,13,18H,6,9H2,1-5H3,(H,15,16,17)
InChIKeyKJUIEODHRIMLNI-UHFFFAOYSA-N
XLogP2.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64582754
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
2-(ethylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-5-sulfonamide
CID 79359680
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
2-[[2-(ethylamino)pyrimidin-5-yl]sulfonylamino]ethylurea
CID 83115138
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62143309
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide (CID 102907919) is 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCC(C(C)C)C(C)C)cn1.
What is the InChIKey of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide?
The InChIKey is KJUIEODHRIMLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-6-15-14-16-7-12(8-17-14)21(19,20)18-9-13(10(2)3)11(4)5/h7-8,10-11,13,18H,6,9H2,1-5H3,(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 102907919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).