2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C17H28N6O2S — CID 55479308

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESNc1cc(N)nc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C17H28N6O2S/c18-13-10-14(19)22-16(21-13)26-11-15(24)20-12-17(4-2-1-3-5-17)23-6-8-25-9-7-23/h10H,1-9,11-12H2,(H,20,24)(H4,18,19,21,22)
InChIKeyIHWFMZYDGLIXJS-UHFFFAOYSA-N
MW380.52 g/mol
LogP0.88
Rot. Bonds6

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 55479308) has the molecular formula C17H28N6O2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID55479308
Molecular FormulaC17H28N6O2S
Molecular Weight380.52 g/mol
Exact Mass380.20
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESNc1cc(N)nc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1
InChIInChI=1S/C17H28N6O2S/c18-13-10-14(19)22-16(21-13)26-11-15(24)20-12-17(4-2-1-3-5-17)23-6-8-25-9-7-23/h10H,1-9,11-12H2,(H,20,24)(H4,18,19,21,22)
InChIKeyIHWFMZYDGLIXJS-UHFFFAOYSA-N
XLogP0.88
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16602081
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34254499
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 24596593
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 16591414
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16567192
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 16564964
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 37137258
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 122139787
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 43032858

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 55479308) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Nc1cc(N)nc(SCC(=O)NCC2(N3CCOCC3)CCCCC2)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is IHWFMZYDGLIXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2S/c18-13-10-14(19)22-16(21-13)26-11-15(24)20-12-17(4-2-1-3-5-17)23-6-8-25-9-7-23/h10H,1-9,11-12H2,(H,20,24)(H4,18,19,21,22).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 55479308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).