4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

C13H21ClN4O — CID 82460999

IUPAC4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCc1nc(NCCCN2CCOCC2)nc(Cl)c1C
InChIInChI=1S/C13H21ClN4O/c1-10-11(2)16-13(17-12(10)14)15-4-3-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H,15,16,17)
InChIKeyAVVBGCISDBTNNV-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.88
Rot. Bonds5

About 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine

4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 82460999) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
PubChem CID82460999
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
SMILESCc1nc(NCCCN2CCOCC2)nc(Cl)c1C
InChIInChI=1S/C13H21ClN4O/c1-10-11(2)16-13(17-12(10)14)15-4-3-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H,15,16,17)
InChIKeyAVVBGCISDBTNNV-UHFFFAOYSA-N
XLogP1.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine (CID 82460999) is 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is Cc1nc(NCCCN2CCOCC2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
The InChIKey is AVVBGCISDBTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-10-11(2)16-13(17-12(10)14)15-4-3-5-18-6-8-19-9-7-18/h3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine?
4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 82460999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).