5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine

C22H25N3O4 — CID 171989060

IUPAC5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(NCc3cc(OC)c(OC)c(OC)c3)nc2C)cc1
InChIInChI=1S/C22H25N3O4/c1-14-18(16-6-8-17(26-2)9-7-16)13-24-22(25-14)23-12-15-10-19(27-3)21(29-5)20(11-15)28-4/h6-11,13H,12H2,1-5H3,(H,23,24,25)
InChIKeyNXMSCXLPMXLOQS-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.10
Rot. Bonds8

About 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine

5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 171989060) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID171989060
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(NCc3cc(OC)c(OC)c(OC)c3)nc2C)cc1
InChIInChI=1S/C22H25N3O4/c1-14-18(16-6-8-17(26-2)9-7-16)13-24-22(25-14)23-12-15-10-19(27-3)21(29-5)20(11-15)28-4/h6-11,13H,12H2,1-5H3,(H,23,24,25)
InChIKeyNXMSCXLPMXLOQS-UHFFFAOYSA-N
XLogP4.10
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171705192
N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 103278941
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
N-[(3,4,5-trimethoxyphenyl)methyl]thieno[3,2-d]pyrimidin-2-amine
CID 163723742
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472767
6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60579306
4-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171989236
2-N-benzyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 23452352

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine (CID 171989060) is 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(-c2cnc(NCc3cc(OC)c(OC)c(OC)c3)nc2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is NXMSCXLPMXLOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-18(16-6-8-17(26-2)9-7-16)13-24-22(25-14)23-12-15-10-19(27-3)21(29-5)20(11-15)28-4/h6-11,13H,12H2,1-5H3,(H,23,24,25).
What are the key properties of 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine?
5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 171989060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).