6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine

C21H24N4O2 — CID 112869597

IUPAC6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccc(OCc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C21H24N4O2/c1-16-23-20(22-12-13-26-2)14-21(24-16)25-18-8-10-19(11-9-18)27-15-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H2,22,23,24,25)
InChIKeyILXBVMVBECDIRB-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.17
Rot. Bonds9

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

6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112869597) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112869597
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccc(OCc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C21H24N4O2/c1-16-23-20(22-12-13-26-2)14-21(24-16)25-18-8-10-19(11-9-18)27-15-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H2,22,23,24,25)
InChIKeyILXBVMVBECDIRB-UHFFFAOYSA-N
XLogP4.17
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.17
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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Related Compounds

6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112911654
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869563
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321
2-methyl-4-N-(4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873723
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(2-tert-butylphenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869548
4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112863831

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine (CID 112869597) is 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine is COCCNc1cc(Nc2ccc(OCc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is ILXBVMVBECDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-23-20(22-12-13-26-2)14-21(24-16)25-18-8-10-19(11-9-18)27-15-17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 364.45 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112869597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).