6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C12H19ClN4O — CID 55229868

IUPAC6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCN1CCOCC1
InChIInChI=1S/C12H19ClN4O/c1-2-10-11(13)15-9-16-12(10)14-3-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyDWPUFZHWSXFMNC-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.44
Rot. Bonds5

About 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 55229868) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID55229868
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCN1CCOCC1
InChIInChI=1S/C12H19ClN4O/c1-2-10-11(13)15-9-16-12(10)14-3-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyDWPUFZHWSXFMNC-UHFFFAOYSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 55229868) is 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1NCCN1CCOCC1.
What is the InChIKey of 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is DWPUFZHWSXFMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-2-10-11(13)15-9-16-12(10)14-3-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 270.76 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 55229868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).