6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

C12H21N5O — CID 72921477

IUPAC6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCCN2CCOCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-10-9-11(16-12(13)15-10)14-3-2-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeyYWQKPDJJLJQWNS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.50
Rot. Bonds5

About 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine

6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 72921477) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
PubChem CID72921477
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCCN2CCOCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-10-9-11(16-12(13)15-10)14-3-2-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H3,13,14,15,16)
InChIKeyYWQKPDJJLJQWNS-UHFFFAOYSA-N
XLogP0.50
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine (CID 72921477) is 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine is Cc1cc(NCCCN2CCOCC2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is YWQKPDJJLJQWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-9-11(16-12(13)15-10)14-3-2-4-17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H3,13,14,15,16).
What are the key properties of 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 72921477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).