4-chloro-6-morpholin-4-ylpyrimidin-5-amine

C8H11ClN4O — CID 1081837

IUPAC4-chloro-6-morpholin-4-ylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C8H11ClN4O/c9-7-6(10)8(12-5-11-7)13-1-3-14-4-2-13/h5H,1-4,10H2
InChIKeyBKIARJNCNNZORY-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.55
Rot. Bonds1

About 4-chloro-6-morpholin-4-ylpyrimidin-5-amine

4-chloro-6-morpholin-4-ylpyrimidin-5-amine (PubChem CID 1081837) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-ylpyrimidin-5-amine
PubChem CID1081837
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name4-chloro-6-morpholin-4-ylpyrimidin-5-amine
SMILESNc1c(Cl)ncnc1N1CCOCC1
InChIInChI=1S/C8H11ClN4O/c9-7-6(10)8(12-5-11-7)13-1-3-14-4-2-13/h5H,1-4,10H2
InChIKeyBKIARJNCNNZORY-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 4-chloro-6-morpholin-4-ylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-morpholin-4-ylpyrimidin-5-amine (CID 1081837) is 4-chloro-6-morpholin-4-ylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-ylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-ylpyrimidin-5-amine is Nc1c(Cl)ncnc1N1CCOCC1.
What is the InChIKey of 4-chloro-6-morpholin-4-ylpyrimidin-5-amine?
The InChIKey is BKIARJNCNNZORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-7-6(10)8(12-5-11-7)13-1-3-14-4-2-13/h5H,1-4,10H2.
What are the key properties of 4-chloro-6-morpholin-4-ylpyrimidin-5-amine?
4-chloro-6-morpholin-4-ylpyrimidin-5-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 4-chloro-6-morpholin-4-ylpyrimidin-5-amine is sourced from PubChem (CID 1081837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).