4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide

C22H24N4O3 — CID 143652230

IUPAC4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(NCCc3ccc(OC)cc3)nc(OC)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-23-21(27)17-8-6-16(7-9-17)19-14-20(26-22(25-19)29-3)24-13-12-15-4-10-18(28-2)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUAHNKIKCBBBCRZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.17
Rot. Bonds8

About 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide

4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide (PubChem CID 143652230) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide
PubChem CID143652230
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(NCCc3ccc(OC)cc3)nc(OC)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-23-21(27)17-8-6-16(7-9-17)19-14-20(26-22(25-19)29-3)24-13-12-15-4-10-18(28-2)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUAHNKIKCBBBCRZ-UHFFFAOYSA-N
XLogP3.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-3-methylbutan-2-one
CID 58990372
2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol
CID 135509970
(NE)-N-[[2-methoxy-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methylidene]hydroxylamine
CID 11625660
N-[[2-methoxy-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methylidene]hydroxylamine
CID 73033762
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-[(E)-4-methyliminopent-2-en-2-yl]phenyl]pyrimidin-4-amine
CID 143652183
1-(5-bromo-2-chlorophenyl)-2-methoxyethanone;1-[2-chloro-5-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]-2-methoxyethanone
CID 158021759
2-methoxy-6-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidin-4-amine
CID 141138699
1-hydroxy-4-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-4-methylpentan-3-one
CID 67962826
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrimidin-4-amine
CID 11625845
4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082432
2-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]acetonitrile
CID 53321838
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide?
The IUPAC name of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide (CID 143652230) is 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide?
The canonical SMILES for 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(NCCc3ccc(OC)cc3)nc(OC)n2)cc1.
What is the InChIKey of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide?
The InChIKey is UAHNKIKCBBBCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-23-21(27)17-8-6-16(7-9-17)19-14-20(26-22(25-19)29-3)24-13-12-15-4-10-18(28-2)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide?
4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide has a molecular weight of 392.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 143652230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).