N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide

C14H22N4O3S — CID 2141444

IUPACN-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)NCCCO)n1
InChIInChI=1S/C14H22N4O3S/c1-11-9-12(18-4-7-21-8-5-18)17-14(16-11)22-10-13(20)15-3-2-6-19/h9,19H,2-8,10H2,1H3,(H,15,20)
InChIKeyMHKBZXZDPVLCNI-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.21
Rot. Bonds7

About N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide

N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 2141444) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
PubChem CID2141444
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)NCCCO)n1
InChIInChI=1S/C14H22N4O3S/c1-11-9-12(18-4-7-21-8-5-18)17-14(16-11)22-10-13(20)15-3-2-6-19/h9,19H,2-8,10H2,1H3,(H,15,20)
InChIKeyMHKBZXZDPVLCNI-UHFFFAOYSA-N
XLogP0.21
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
2-(4-Amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 4430216
4-{3-[(4,6-Dimethyl-2-pyrimidinyl)thio]propanoyl}morpholine
CID 975615
2-(6-Methyl-2-morpholin-4-yl-pyrimidin-4-ylamino)-ethanol
CID 1918227
2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 695461
Acetic acid, ((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
CID 723195
Acetic acid, ((6-methyl-4-morpholino-2-pyrimidinyl)thio)-, hydrazide
CID 3060315
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
2-(4-Methyl-6-morpholin-4-ylpyrimidin-2-ylthio)-1-pyrrolidinylethan-1-one
CID 3536518
2-(4-Methyl-6-morpholin-4-ylpyrimidin-2-ylthio)-1-morpholin-4-ylethan-1-one
CID 4098476
2-[(2,6-Dimethylpyrimidin-4-YL)sulfanyl]-1-(morpholin-4-YL)ethan-1-one
CID 23611314
2-[[6-Methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol
CID 117082284

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide (CID 2141444) is N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(N2CCOCC2)nc(SCC(=O)NCCCO)n1.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is MHKBZXZDPVLCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-11-9-12(18-4-7-21-8-5-18)17-14(16-11)22-10-13(20)15-3-2-6-19/h9,19H,2-8,10H2,1H3,(H,15,20).
What are the key properties of N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide?
N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 326.42 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2141444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).