6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

C14H18N4O2 — CID 53261247

IUPAC6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccc(OC)cc2)ncn1
InChIInChI=1S/C14H18N4O2/c1-19-8-7-15-13-9-14(17-10-16-13)18-11-3-5-12(20-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyKWZNCEPWBSRWHD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.29
Rot. Bonds7

About 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 53261247) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID53261247
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccc(OC)cc2)ncn1
InChIInChI=1S/C14H18N4O2/c1-19-8-7-15-13-9-14(17-10-16-13)18-11-3-5-12(20-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyKWZNCEPWBSRWHD-UHFFFAOYSA-N
XLogP2.29
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.29
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 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (CID 53261247) is 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is COCCNc1cc(Nc2ccc(OC)cc2)ncn1.
What is the InChIKey of 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is KWZNCEPWBSRWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-8-7-15-13-9-14(17-10-16-13)18-11-3-5-12(20-2)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 53261247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).