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

C21H24N4O2 — CID 112911654

IUPAC2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-16-14-20(25-21(23-16)22-12-13-26-2)24-18-8-10-19(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)
InChIKeyVCLMNLZQEMWPIX-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.17
Rot. Bonds9

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

2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112911654) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112911654
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-16-14-20(25-21(23-16)22-12-13-26-2)24-18-8-10-19(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)
InChIKeyVCLMNLZQEMWPIX-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-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911689
4-[[2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194304
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911567
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112909003
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075061
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935080
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4-methoxyphenoxy)acetamide
CID 122294623
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (CID 112911654) is 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is COCCNc1nc(C)cc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is VCLMNLZQEMWPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-14-20(25-21(23-16)22-12-13-26-2)24-18-8-10-19(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 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-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 2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112911654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).