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

C18H26N4O — CID 112911418

IUPAC4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCOCCNc1cc(C)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C18H26N4O/c1-12(2)15-8-6-7-13(3)17(15)22-18-20-14(4)11-16(21-18)19-9-10-23-5/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22)
InChIKeySUAMSQYGZRKOPC-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.02
Rot. Bonds7

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

4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112911418) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112911418
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
SMILESCOCCNc1cc(C)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C18H26N4O/c1-12(2)15-8-6-7-13(3)17(15)22-18-20-14(4)11-16(21-18)19-9-10-23-5/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22)
InChIKeySUAMSQYGZRKOPC-UHFFFAOYSA-N
XLogP4.02
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112918480
4-N-(2-methoxyethyl)-6-methyl-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112911416
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925285
6-N-(3-methoxypropyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112856928
2-[[6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112929185
4-N-[2,6-di(propan-2-yl)phenyl]-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856803
2-N-(4-bromo-2-methylphenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911473
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906911
2-N-(3,4-difluorophenyl)-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911503
2-N-(2,6-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918471

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine (CID 112911418) is 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine is COCCNc1cc(C)nc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SUAMSQYGZRKOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12(2)15-8-6-7-13(3)17(15)22-18-20-14(4)11-16(21-18)19-9-10-23-5/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-methyl-2-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112911418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).