2-chloro-5-morpholin-4-ylpyrimidin-4-amine

C8H11ClN4O — CID 177269263

IUPAC2-chloro-5-morpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(Cl)ncc1N1CCOCC1
InChIInChI=1S/C8H11ClN4O/c9-8-11-5-6(7(10)12-8)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyRMJLHLOHQBFYNQ-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.55
Rot. Bonds1

About 2-chloro-5-morpholin-4-ylpyrimidin-4-amine

2-chloro-5-morpholin-4-ylpyrimidin-4-amine (PubChem CID 177269263) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylpyrimidin-4-amine
PubChem CID177269263
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name2-chloro-5-morpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(Cl)ncc1N1CCOCC1
InChIInChI=1S/C8H11ClN4O/c9-8-11-5-6(7(10)12-8)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyRMJLHLOHQBFYNQ-UHFFFAOYSA-N
XLogP0.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloropyrimidin-4-amine;5-bromo-2-morpholin-4-ylpyrimidin-4-amine;morpholine
CID 159059170
(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid
CID 177244085
5-bromo-2-chloropyrimidin-4-amine;oxolane
CID 143294282
4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)morpholine
CID 139316829
4-(5-bromo-2-chloropyrimidin-4-yl)-1,4-oxazepane
CID 79073002
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 155529844
3-morpholin-4-ylquinolin-2-amine
CID 67346064
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
CID 11508758
5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
5-chloro-6-morpholin-4-ylpyridin-3-amine;hydron
CID 69345402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-morpholin-4-ylpyrimidin-4-amine (CID 177269263) is 2-chloro-5-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-morpholin-4-ylpyrimidin-4-amine is Nc1nc(Cl)ncc1N1CCOCC1.
What is the InChIKey of 2-chloro-5-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is RMJLHLOHQBFYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-8-11-5-6(7(10)12-8)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 2-chloro-5-morpholin-4-ylpyrimidin-4-amine?
2-chloro-5-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 214.66 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 177269263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).