4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine

C30H27N5O2 — CID 173488375

IUPAC4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESCOC(=C1C=CCN=C1)c1cc(-c2ccnc(Nc3cccc(OCc4ccccc4)c3)n2)ccc1N
InChIInChI=1S/C30H27N5O2/c1-36-29(23-9-6-15-32-19-23)26-17-22(12-13-27(26)31)28-14-16-33-30(35-28)34-24-10-5-11-25(18-24)37-20-21-7-3-2-4-8-21/h2-14,16-19H,15,20,31H2,1H3,(H,33,34,35)
InChIKeyPECFYRNGACNCSQ-UHFFFAOYSA-N
MW489.58 g/mol
LogP6.05
Rot. Bonds8

About 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine

4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine (PubChem CID 173488375) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine
PubChem CID173488375
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESCOC(=C1C=CCN=C1)c1cc(-c2ccnc(Nc3cccc(OCc4ccccc4)c3)n2)ccc1N
InChIInChI=1S/C30H27N5O2/c1-36-29(23-9-6-15-32-19-23)26-17-22(12-13-27(26)31)28-14-16-33-30(35-28)34-24-10-5-11-25(18-24)37-20-21-7-3-2-4-8-21/h2-14,16-19H,15,20,31H2,1H3,(H,33,34,35)
InChIKeyPECFYRNGACNCSQ-UHFFFAOYSA-N
XLogP6.05
TPSA94.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine 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

N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
N-[3-[(3-aminophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10199490
3-[[4-(4-amino-3-benzoylphenyl)pyrimidin-2-yl]amino]benzenesulfinate
CID 89175574
N-[3-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292069
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
3-methyl-5-methylsulfanyl-4-[2-(3-phenylmethoxyanilino)pyrimidin-4-yl]thiophene-2-carbonitrile
CID 10138422
5-(2-anilinopyrimidin-4-yl)-N-benzyl-2-methylbenzamide
CID 10023555
4-(3-phenylmethoxyphenyl)-5-[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 58236674

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine (CID 173488375) is 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine is COC(=C1C=CCN=C1)c1cc(-c2ccnc(Nc3cccc(OCc4ccccc4)c3)n2)ccc1N.
What is the InChIKey of 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine?
The InChIKey is PECFYRNGACNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-36-29(23-9-6-15-32-19-23)26-17-22(12-13-27(26)31)28-14-16-33-30(35-28)34-24-10-5-11-25(18-24)37-20-21-7-3-2-4-8-21/h2-14,16-19H,15,20,31H2,1H3,(H,33,34,35).
What are the key properties of 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine?
4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine has a molecular weight of 489.58 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 173488375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).