2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine

C15H20N6O — CID 66682212

IUPAC2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
SMILESCNCCOc1nc(N)cc(NN=Cc2cccc(C)c2)n1
InChIInChI=1S/C15H20N6O/c1-11-4-3-5-12(8-11)10-18-21-14-9-13(16)19-15(20-14)22-7-6-17-2/h3-5,8-10,17H,6-7H2,1-2H3,(H3,16,19,20,21)
InChIKeyASZZUSQQHMKWKV-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.41
Rot. Bonds7

About 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine

2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine (PubChem CID 66682212) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
PubChem CID66682212
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
SMILESCNCCOc1nc(N)cc(NN=Cc2cccc(C)c2)n1
InChIInChI=1S/C15H20N6O/c1-11-4-3-5-12(8-11)10-18-21-14-9-13(16)19-15(20-14)22-7-6-17-2/h3-5,8-10,17H,6-7H2,1-2H3,(H3,16,19,20,21)
InChIKeyASZZUSQQHMKWKV-UHFFFAOYSA-N
XLogP1.41
TPSA97.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
The IUPAC name of 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine (CID 66682212) is 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine is CNCCOc1nc(N)cc(NN=Cc2cccc(C)c2)n1.
What is the InChIKey of 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
The InChIKey is ASZZUSQQHMKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-4-3-5-12(8-11)10-18-21-14-9-13(16)19-15(20-14)22-7-6-17-2/h3-5,8-10,17H,6-7H2,1-2H3,(H3,16,19,20,21).
What are the key properties of 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine?
2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine has a molecular weight of 300.37 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine is sourced from PubChem (CID 66682212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).