4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide

C19H22N4O4S — CID 110248706

IUPAC4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C19H22N4O4S/c1-13-17(11-20-12-21-13)19(24)22-18-5-3-14-2-4-15(10-16(14)18)28(25,26)23-6-8-27-9-7-23/h2,4,10-12,18H,3,5-9H2,1H3,(H,22,24)
InChIKeyMAGSYUKPPLUPPK-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.22
Rot. Bonds4

About 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide

4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide (PubChem CID 110248706) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide
PubChem CID110248706
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C19H22N4O4S/c1-13-17(11-20-12-21-13)19(24)22-18-5-3-14-2-4-15(10-16(14)18)28(25,26)23-6-8-27-9-7-23/h2,4,10-12,18H,3,5-9H2,1H3,(H,22,24)
InChIKeyMAGSYUKPPLUPPK-UHFFFAOYSA-N
XLogP1.22
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 110248692
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl]acetamide
CID 92634815
2-methoxy-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 28570089
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 16561402
2-methyl-N-(3-methylcyclohex-2-en-1-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 167930314
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2368017
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide (CID 110248706) is 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide is Cc1ncncc1C(=O)NC1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide?
The InChIKey is MAGSYUKPPLUPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13-17(11-20-12-21-13)19(24)22-18-5-3-14-2-4-15(10-16(14)18)28(25,26)23-6-8-27-9-7-23/h2,4,10-12,18H,3,5-9H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide?
4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-morpholin-4-ylsulfonyl-2,3-dihydro-1H-inden-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110248706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).