4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine

C13H19N5O — CID 39808954

IUPAC4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCCc2c(C)noc2C)nc(N)n1
InChIInChI=1S/C13H19N5O/c1-8-7-12(17-13(14)16-8)15-6-4-5-11-9(2)18-19-10(11)3/h7H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyWCGVTYACEDSZJA-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.02
Rot. Bonds5

About 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine

4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 39808954) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine
PubChem CID39808954
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCCc2c(C)noc2C)nc(N)n1
InChIInChI=1S/C13H19N5O/c1-8-7-12(17-13(14)16-8)15-6-4-5-11-9(2)18-19-10(11)3/h7H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyWCGVTYACEDSZJA-UHFFFAOYSA-N
XLogP2.02
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine (CID 39808954) is 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCCCc2c(C)noc2C)nc(N)n1.
What is the InChIKey of 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is WCGVTYACEDSZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-7-12(17-13(14)16-8)15-6-4-5-11-9(2)18-19-10(11)3/h7H,4-6H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine?
4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 39808954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).