N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide

C13H24N4O2S — CID 62150752

IUPACN,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CCC)CCC)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-7-14-13-15-10-12(11-16-13)20(18,19)17(8-5-2)9-6-3/h10-11H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyXPJQPCRGWKGSJX-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.11
Rot. Bonds9

About N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide

N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62150752) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62150752
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CCC)CCC)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-7-14-13-15-10-12(11-16-13)20(18,19)17(8-5-2)9-6-3/h10-11H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyXPJQPCRGWKGSJX-UHFFFAOYSA-N
XLogP2.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044432
N-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 79481846
N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145628
N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044291
N,N-dibutyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143915
N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62148028
N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937024
N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62159264
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide
CID 64516785
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
N,N-bis(cyanomethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62163524
N,N-dipropyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246750

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide (CID 62150752) is N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(CCC)CCC)cn1.
What is the InChIKey of N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is XPJQPCRGWKGSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-7-14-13-15-10-12(11-16-13)20(18,19)17(8-5-2)9-6-3/h10-11H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide?
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62150752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).