N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide

C18H23N7O5S — CID 122526682

IUPACN-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide
SMILESCOc1nc(N2CCOCC2)nc(OC)c1Sc1nc(NC(C)=O)cc(NC(C)=O)n1
InChIInChI=1S/C18H23N7O5S/c1-10(26)19-12-9-13(20-11(2)27)22-18(21-12)31-14-15(28-3)23-17(24-16(14)29-4)25-5-7-30-8-6-25/h9H,5-8H2,1-4H3,(H2,19,20,21,22,26,27)
InChIKeyPRZFIDJDOQQISG-UHFFFAOYSA-N
MW449.49 g/mol
LogP1.19
Rot. Bonds7

About N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide

N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide (PubChem CID 122526682) has the molecular formula C18H23N7O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide
PubChem CID122526682
Molecular FormulaC18H23N7O5S
Molecular Weight449.49 g/mol
Exact Mass449.15
IUPAC NameN-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide
SMILESCOc1nc(N2CCOCC2)nc(OC)c1Sc1nc(NC(C)=O)cc(NC(C)=O)n1
InChIInChI=1S/C18H23N7O5S/c1-10(26)19-12-9-13(20-11(2)27)22-18(21-12)31-14-15(28-3)23-17(24-16(14)29-4)25-5-7-30-8-6-25/h9H,5-8H2,1-4H3,(H2,19,20,21,22,26,27)
InChIKeyPRZFIDJDOQQISG-UHFFFAOYSA-N
XLogP1.19
TPSA140.69 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[6-amino-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]octanamide
CID 122526711
3-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylaniline
CID 122526454
N-[6-amino-2-[4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]-4-(dimethylamino)but-2-enamide
CID 154078921
N-[6-amino-2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]-4,6-dimethoxypyrimidin-5-yl]sulfanylpyrimidin-4-yl]prop-2-enamide
CID 66973895
(Z)-N-[2-[4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]but-2-enamide
CID 122526495
2-[2-[3-[4-[5-[4-amino-6-(prop-2-enoylamino)pyrimidin-2-yl]sulfanyl-4,6-dimethoxypyrimidin-2-yl]piperazin-1-yl]propoxy]ethoxy]ethyl prop-2-enoate
CID 88980495
4-(4,6,7-trimethoxyquinazolin-2-yl)morpholine
CID 22082862
N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide
CID 3080135
(E)-N-[3-[4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]but-2-enamide
CID 122526444
3-methoxy-6-morpholin-4-ylpyridazine-4-carboxylic acid
CID 117102938
5-[4-amino-6-[1-(sulfinatoamino)ethenyl]pyrimidin-2-yl]sulfanyl-4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidine
CID 146540887
1-[2-[4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]but-3-en-2-one
CID 122526547

Frequently Asked Questions

What is the IUPAC name of N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide (CID 122526682) is N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide is COc1nc(N2CCOCC2)nc(OC)c1Sc1nc(NC(C)=O)cc(NC(C)=O)n1.
What is the InChIKey of N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
The InChIKey is PRZFIDJDOQQISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O5S/c1-10(26)19-12-9-13(20-11(2)27)22-18(21-12)31-14-15(28-3)23-17(24-16(14)29-4)25-5-7-30-8-6-25/h9H,5-8H2,1-4H3,(H2,19,20,21,22,26,27).
What are the key properties of N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide?
N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide has a molecular weight of 449.49 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetamido-2-(4,6-dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 122526682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).