2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine

C26H29N7O2 — CID 44527652

IUPAC2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESc1cn(-c2ccc(CNc3nccc(Nc4ccc(OCCN5CCOCC5)cc4)n3)cc2)cn1
InChIInChI=1S/C26H29N7O2/c1-5-23(33-12-11-27-20-33)6-2-21(1)19-29-26-28-10-9-25(31-26)30-22-3-7-24(8-4-22)35-18-15-32-13-16-34-17-14-32/h1-12,20H,13-19H2,(H2,28,29,30,31)
InChIKeySDRXCTPPLIUYRR-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.73
Rot. Bonds10

About 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine

2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 44527652) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID44527652
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESc1cn(-c2ccc(CNc3nccc(Nc4ccc(OCCN5CCOCC5)cc4)n3)cc2)cn1
InChIInChI=1S/C26H29N7O2/c1-5-23(33-12-11-27-20-33)6-2-21(1)19-29-26-28-10-9-25(31-26)30-22-3-7-24(8-4-22)35-18-15-32-13-16-34-17-14-32/h1-12,20H,13-19H2,(H2,28,29,30,31)
InChIKeySDRXCTPPLIUYRR-UHFFFAOYSA-N
XLogP3.73
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bos172722
CID 73386890
N4-methyl-N2-{2-methyl-1-[2-({3-methyl-3H-imidazo[4,5-b]pyridin-6-yl}oxy)phenyl]-1H-indol-6-yl}pyrimidine-2,4-diamine
CID 121231410
N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}-4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 6539010
(1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol
CID 70679302
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine (CID 44527652) is 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine is c1cn(-c2ccc(CNc3nccc(Nc4ccc(OCCN5CCOCC5)cc4)n3)cc2)cn1.
What is the InChIKey of 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is SDRXCTPPLIUYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-5-23(33-12-11-27-20-33)6-2-21(1)19-29-26-28-10-9-25(31-26)30-22-3-7-24(8-4-22)35-18-15-32-13-16-34-17-14-32/h1-12,20H,13-19H2,(H2,28,29,30,31).
What are the key properties of 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine?
2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 471.57 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-imidazol-1-ylphenyl)methyl]-4-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44527652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).