4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide

C22H30N6O5S — CID 72547635

IUPAC4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C22H30N6O5S/c1-23-22-24-14-19(20(27-22)25-15-2-6-17(29)7-3-15)21(30)26-16-4-8-18(9-5-16)34(31,32)28-10-12-33-13-11-28/h4-5,8-9,14-15,17,29H,2-3,6-7,10-13H2,1H3,(H,26,30)(H2,23,24,25,27)
InChIKeyXCVFEECOCBFREB-UHFFFAOYSA-N
MW490.59 g/mol
LogP1.51
Rot. Bonds7

About 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide

4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide (PubChem CID 72547635) has the molecular formula C22H30N6O5S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide
PubChem CID72547635
Molecular FormulaC22H30N6O5S
Molecular Weight490.59 g/mol
Exact Mass490.20
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C22H30N6O5S/c1-23-22-24-14-19(20(27-22)25-15-2-6-17(29)7-3-15)21(30)26-16-4-8-18(9-5-16)34(31,32)28-10-12-33-13-11-28/h4-5,8-9,14-15,17,29H,2-3,6-7,10-13H2,1H3,(H,26,30)(H2,23,24,25,27)
InChIKeyXCVFEECOCBFREB-UHFFFAOYSA-N
XLogP1.51
TPSA145.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-(Butylamino)-4-[(Trans-4-Hydroxycyclohexyl)amino]-N-(4-Sulfamoylbenzyl)pyrimidine-5-Carboxamide
CID 72192165
4-[[2-(Butylamino)-5-(5-morpholin-4-ylsulfonyl-2-pyridinyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792564
4-Anilino-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576396
2-(ethylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide
CID 72547636
4-[(4-hydroxycyclohexyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 72547637
4-[(4-hydroxycyclohexyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 72547638
2-[(4-fluorophenyl)methylamino]-4-[(4-hydroxycyclohexyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide
CID 72547864
4-[(4-hydroxycyclohexyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 72547868
2-(cyclohexylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide
CID 72548104
2-(butylamino)-N-(4-fluorophenyl)-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 72551069
4-[(4-aminocyclohexyl)amino]-2-(butylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide
CID 72551073
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-(4-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 72793337

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide (CID 72547635) is 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide is CNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide?
The InChIKey is XCVFEECOCBFREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O5S/c1-23-22-24-14-19(20(27-22)25-15-2-6-17(29)7-3-15)21(30)26-16-4-8-18(9-5-16)34(31,32)28-10-12-33-13-11-28/h4-5,8-9,14-15,17,29H,2-3,6-7,10-13H2,1H3,(H,26,30)(H2,23,24,25,27).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide?
4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 1.51, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-2-(methylamino)-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72547635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).