4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine

C11H17N5O — CID 117079404

IUPAC4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15)
InChIKeyODSBHVJNQBVQRW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.47
Rot. Bonds3

About 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 117079404) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID117079404
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15)
InChIKeyODSBHVJNQBVQRW-UHFFFAOYSA-N
XLogP0.47
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 117079404) is 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine is Nc1nc(NC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is ODSBHVJNQBVQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15).
What are the key properties of 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 235.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 117079404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).