2-chloro-6-morpholin-4-ylpyrimidin-4-amine

C8H11ClN4O — CID 2057501

IUPAC2-chloro-6-morpholin-4-ylpyrimidin-4-amine
SMILESNc1cc(N2CCOCC2)nc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c9-8-11-6(10)5-7(12-8)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyFZGYHUPILYKVDN-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.55
Rot. Bonds1

About 2-chloro-6-morpholin-4-ylpyrimidin-4-amine

2-chloro-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 2057501) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 2-chloro-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID2057501
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name2-chloro-6-morpholin-4-ylpyrimidin-4-amine
SMILESNc1cc(N2CCOCC2)nc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c9-8-11-6(10)5-7(12-8)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKeyFZGYHUPILYKVDN-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-6-morpholin-4-ylpyrimidin-4-amine (CID 2057501) is 2-chloro-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-morpholin-4-ylpyrimidin-4-amine is Nc1cc(N2CCOCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is FZGYHUPILYKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-8-11-6(10)5-7(12-8)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12).
What are the key properties of 2-chloro-6-morpholin-4-ylpyrimidin-4-amine?
2-chloro-6-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-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 2057501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).