2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane

C12H20ClN5O — CID 145480224

IUPAC2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane
SMILESCC.[H]/N=C(\C)c1c(N)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C10H14ClN5O.C2H6/c1-6(12)7-8(13)14-10(11)15-9(7)16-2-4-17-5-3-16;1-2/h12H,2-5H2,1H3,(H2,13,14,15);1-2H3/b12-6+;
InChIKeyFVOXWNQWJXKGTQ-WXIWBVQFSA-N
MW285.78 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane

2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane (PubChem CID 145480224) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane.

Molecular Properties

Compound Name2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane
PubChem CID145480224
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane
SMILESCC.[H]/N=C(\C)c1c(N)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C10H14ClN5O.C2H6/c1-6(12)7-8(13)14-10(11)15-9(7)16-2-4-17-5-3-16;1-2/h12H,2-5H2,1H3,(H2,13,14,15);1-2H3/b12-6+;
InChIKeyFVOXWNQWJXKGTQ-WXIWBVQFSA-N
XLogP1.96
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine
CID 145480225
4-(5-chloro-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 58234939
2-chloro-5-morpholin-4-ylpyrimidin-4-amine
CID 177269263
4-(2,5-dichloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 25255100
2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 146469522
4-(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)morpholine
CID 168921312
4-(2-chloro-7,8-dimethylpurin-6-yl)morpholine
CID 162379156
4-(2-chloro-8,9-dimethylpurin-6-yl)morpholine
CID 59806507
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
4-(2,6-dichlorothieno[2,3-d]pyrimidin-4-yl)morpholine
CID 86624262
1-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 91607698
5-(2-chloro-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)pyridin-2-amine
CID 86618369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane?
The IUPAC name of 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane (CID 145480224) is 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane.
What is the SMILES notation for 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane?
The canonical SMILES for 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane is CC.[H]/N=C(\C)c1c(N)nc(Cl)nc1N1CCOCC1.
What is the InChIKey of 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane?
The InChIKey is FVOXWNQWJXKGTQ-WXIWBVQFSA-N. The full InChI is InChI=1S/C10H14ClN5O.C2H6/c1-6(12)7-8(13)14-10(11)15-9(7)16-2-4-17-5-3-16;1-2/h12H,2-5H2,1H3,(H2,13,14,15);1-2H3/b12-6+;.
What are the key properties of 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane?
2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane has a molecular weight of 285.78 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethanimidoyl-6-morpholin-4-ylpyrimidin-4-amine;ethane is sourced from PubChem (CID 145480224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).