3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide

C22H25N5O2 — CID 70860455

IUPAC3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1-c1cnc(N)nc1
InChIInChI=1S/C22H25N5O2/c1-15-4-5-16(12-20(15)17-13-24-22(23)25-14-17)21(28)26-18-6-8-19(9-7-18)29-11-10-27(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,26,28)(H2,23,24,25)
InChIKeyAIUJOBCAIIPNKG-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.23
Rot. Bonds7

About 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide

3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide (PubChem CID 70860455) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide
PubChem CID70860455
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1-c1cnc(N)nc1
InChIInChI=1S/C22H25N5O2/c1-15-4-5-16(12-20(15)17-13-24-22(23)25-14-17)21(28)26-18-6-8-19(9-7-18)29-11-10-27(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,26,28)(H2,23,24,25)
InChIKeyAIUJOBCAIIPNKG-UHFFFAOYSA-N
XLogP3.23
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203
3-(2-aminoquinazolin-6-yl)-N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 58829444
N-[4-[2-(dimethylamino)ethoxy]phenyl]-1,1,3,3-tetramethyl-2H-indene-5-carboxamide
CID 19760314
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethoxy-3-methylbenzamide
CID 86938312
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-(methoxymethyl)benzamide
CID 87006893
N-[4-[3-(dimethylamino)propoxy]phenyl]-4-ethylbenzamide
CID 86898199
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
2-methyl-5-[[4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride;sulfuric acid
CID 54607106
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 54862434

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide?
The IUPAC name of 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide (CID 70860455) is 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1-c1cnc(N)nc1.
What is the InChIKey of 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide?
The InChIKey is AIUJOBCAIIPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-4-5-16(12-20(15)17-13-24-22(23)25-14-17)21(28)26-18-6-8-19(9-7-18)29-11-10-27(2)3/h4-9,12-14H,10-11H2,1-3H3,(H,26,28)(H2,23,24,25).
What are the key properties of 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide?
3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide has a molecular weight of 391.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzamide is sourced from PubChem (CID 70860455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).