N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C26H25N3O4 — CID 10275222

IUPACN-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(OCc4ccccc4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O4/c1-30-23-14-19(15-24(31-2)25(23)32-3)22-12-13-27-26(29-22)28-20-10-7-11-21(16-20)33-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3,(H,27,28,29)
InChIKeyAXBTTYUMRZNTKU-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.49
Rot. Bonds9

About N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 10275222) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID10275222
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(OCc4ccccc4)c3)n2)cc(OC)c1OC
InChIInChI=1S/C26H25N3O4/c1-30-23-14-19(15-24(31-2)25(23)32-3)22-12-13-27-26(29-22)28-20-10-7-11-21(16-20)33-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3,(H,27,28,29)
InChIKeyAXBTTYUMRZNTKU-UHFFFAOYSA-N
XLogP5.49
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
N-(6-chloro-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10177326
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
N-(4-methylphenyl)-4-(4-phenylmethoxyphenyl)pyrimidin-2-amine
CID 66493776
4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
9-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 70028143
4-[4-amino-3-[methoxy(2H-pyridin-5-ylidene)methyl]phenyl]-N-(3-phenylmethoxyphenyl)pyrimidin-2-amine
CID 173488375
4-N-(2-methoxyphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112904554
3-methyl-5-methylsulfanyl-4-[2-(3-phenylmethoxyanilino)pyrimidin-4-yl]thiophene-2-carbonitrile
CID 10138422
[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 25022388
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301
N-[3-(pyridin-4-ylmethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292069

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 10275222) is N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(-c2ccnc(Nc3cccc(OCc4ccccc4)c3)n2)cc(OC)c1OC.
What is the InChIKey of N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is AXBTTYUMRZNTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-30-23-14-19(15-24(31-2)25(23)32-3)22-12-13-27-26(29-22)28-20-10-7-11-21(16-20)33-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3,(H,27,28,29).
What are the key properties of N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 443.50 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 10275222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).