methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide

C20H30N6O4S — CID 159426049

IUPACmethane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide
SMILESC.CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC2CCCNC2)[nH]c(=O)c1C(N)=O
InChIInChI=1S/C19H26N6O4S.CH4/c1-11(2)30(28,29)14-8-4-3-7-13(14)23-17-15(16(20)26)18(27)25-19(24-17)22-12-6-5-9-21-10-12;/h3-4,7-8,11-12,21H,5-6,9-10H2,1-2H3,(H2,20,26)(H3,22,23,24,25,27);1H4
InChIKeyLQJDBJHYHPDFFB-UHFFFAOYSA-N
MW450.57 g/mol
LogP1.59
Rot. Bonds7

About methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide

methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide (PubChem CID 159426049) has the molecular formula C20H30N6O4S and a molecular weight of 450.57 g/mol. Its IUPAC name is methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Namemethane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide
PubChem CID159426049
Molecular FormulaC20H30N6O4S
Molecular Weight450.57 g/mol
Exact Mass450.20
IUPAC Namemethane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide
SMILESC.CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC2CCCNC2)[nH]c(=O)c1C(N)=O
InChIInChI=1S/C19H26N6O4S.CH4/c1-11(2)30(28,29)14-8-4-3-7-13(14)23-17-15(16(20)26)18(27)25-19(24-17)22-12-6-5-9-21-10-12;/h3-4,7-8,11-12,21H,5-6,9-10H2,1-2H3,(H2,20,26)(H3,22,23,24,25,27);1H4
InChIKeyLQJDBJHYHPDFFB-UHFFFAOYSA-N
XLogP1.59
TPSA159.07 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 51.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(piperidin-3-ylamino)benzamide
CID 63319381
2-[[2-(piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 171102573
N,N-dimethyl-2-(piperidin-3-ylamino)benzenesulfonamide
CID 55203561
6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-[(3R)-piperidin-3-yl]-5-propan-2-yloxyisoindol-1-ol
CID 91357497
5-(2-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 130430959
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-piperidin-4-yl-4-(propan-2-yloxymethyl)benzamide
CID 123447999
2-[4-(2-methylsulfonylphenyl)piperazin-1-yl]-4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136984076
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
4-(3-methylanilino)-2-[[(3S)-piperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 56671791

Frequently Asked Questions

What is the IUPAC name of methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide?
The IUPAC name of methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide (CID 159426049) is methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide is C.CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC2CCCNC2)[nH]c(=O)c1C(N)=O.
What is the InChIKey of methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide?
The InChIKey is LQJDBJHYHPDFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4S.CH4/c1-11(2)30(28,29)14-8-4-3-7-13(14)23-17-15(16(20)26)18(27)25-19(24-17)22-12-6-5-9-21-10-12;/h3-4,7-8,11-12,21H,5-6,9-10H2,1-2H3,(H2,20,26)(H3,22,23,24,25,27);1H4.
What are the key properties of methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide?
methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide has a molecular weight of 450.57 g/mol, XLogP of 1.59, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-oxo-2-(piperidin-3-ylamino)-4-(2-propan-2-ylsulfonylanilino)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 159426049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).