N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide

C12H19N5O2S — CID 62159264

IUPACN-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)CC(C)C#N)cn1
InChIInChI=1S/C12H19N5O2S/c1-4-5-14-12-15-7-11(8-16-12)20(18,19)17(3)9-10(2)6-13/h7-8,10H,4-5,9H2,1-3H3,(H,14,15,16)
InChIKeyZNEJCPYATWZZLP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.08
Rot. Bonds7

About N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide

N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62159264) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62159264
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)CC(C)C#N)cn1
InChIInChI=1S/C12H19N5O2S/c1-4-5-14-12-15-7-11(8-16-12)20(18,19)17(3)9-10(2)6-13/h7-8,10H,4-5,9H2,1-3H3,(H,14,15,16)
InChIKeyZNEJCPYATWZZLP-UHFFFAOYSA-N
XLogP1.08
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-ethyl-N-(2-methylbutyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 79481846
N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62158366
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752
5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide
CID 64600117
5-chloro-N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608758
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810662
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide
CID 64516785
N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044432
N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937024

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide (CID 62159264) is N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(C)CC(C)C#N)cn1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is ZNEJCPYATWZZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-4-5-14-12-15-7-11(8-16-12)20(18,19)17(3)9-10(2)6-13/h7-8,10H,4-5,9H2,1-3H3,(H,14,15,16).
What are the key properties of N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide?
N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62159264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).