N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide

C12H20N4O3S — CID 62147723

IUPACN-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC2CCOCC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-10-3-6-19-7-4-10/h8-10,16H,2-7H2,1H3,(H,13,14,15)
InChIKeyQRBKBQCXBXYQMD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.76
Rot. Bonds6

About N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide

N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62147723) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62147723
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NC2CCOCC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-10-3-6-19-7-4-10/h8-10,16H,2-7H2,1H3,(H,13,14,15)
InChIKeyQRBKBQCXBXYQMD-UHFFFAOYSA-N
XLogP0.76
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 82735971
2-(ethylamino)-N-(1-methylpiperidin-4-yl)pyrimidine-5-sulfonamide
CID 62143446
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
N-cyclopentyl-N-ethyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62148028
N-(3,5-dimethylcyclohexyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64733725
2-amino-N-(oxolan-3-yl)pyrimidine-5-sulfonamide
CID 80715221
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
5-(4-ethylpiperidin-1-yl)sulfonyl-N-propylpyrimidin-2-amine
CID 62153138
N-(4-methylphenyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62144387
1-[2-(propylamino)pyrimidin-5-yl]sulfonylpiperidin-4-ol
CID 62142988
2-(ethylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyrimidine-5-sulfonamide
CID 64669851
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide (CID 62147723) is N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)NC2CCOCC2)cn1.
What is the InChIKey of N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is QRBKBQCXBXYQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-5-13-12-14-8-11(9-15-12)20(17,18)16-10-3-6-19-7-4-10/h8-10,16H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide?
N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62147723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).