2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C23H29N5O — CID 112892245

IUPAC2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nccc(NCc3ccccc3OC)n2)c(C)c1
InChIInChI=1S/C23H29N5O/c1-5-28(6-2)19-11-12-20(17(3)15-19)26-23-24-14-13-22(27-23)25-16-18-9-7-8-10-21(18)29-4/h7-15H,5-6,16H2,1-4H3,(H2,24,25,26,27)
InChIKeyMENWQCZHXPEGCV-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.00
Rot. Bonds9

About 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892245) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892245
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nccc(NCc3ccccc3OC)n2)c(C)c1
InChIInChI=1S/C23H29N5O/c1-5-28(6-2)19-11-12-20(17(3)15-19)26-23-24-14-13-22(27-23)25-16-18-9-7-8-10-21(18)29-4/h7-15H,5-6,16H2,1-4H3,(H2,24,25,26,27)
InChIKeyMENWQCZHXPEGCV-UHFFFAOYSA-N
XLogP5.00
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892168
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930478
2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892194
5-N-[4-(diethylamino)-2-methylphenyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967184
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902106
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
CID 112881982
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890511
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906512
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906499

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892245) is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2nccc(NCc3ccccc3OC)n2)c(C)c1.
What is the InChIKey of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MENWQCZHXPEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-5-28(6-2)19-11-12-20(17(3)15-19)26-23-24-14-13-22(27-23)25-16-18-9-7-8-10-21(18)29-4/h7-15H,5-6,16H2,1-4H3,(H2,24,25,26,27).
What are the key properties of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 391.52 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).