3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide

C20H21N5O2 — CID 174744657

IUPAC3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Nc2ncc(-c3cccc(O)c3)c(N)n2)c1
InChIInChI=1S/C20H21N5O2/c1-2-9-22-19(27)14-6-3-7-15(10-14)24-20-23-12-17(18(21)25-20)13-5-4-8-16(26)11-13/h3-8,10-12,26H,2,9H2,1H3,(H,22,27)(H3,21,23,24,25)
InChIKeyBKLJYTBFZHOJHU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.31
Rot. Bonds6

About 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide

3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide (PubChem CID 174744657) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
PubChem CID174744657
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(Nc2ncc(-c3cccc(O)c3)c(N)n2)c1
InChIInChI=1S/C20H21N5O2/c1-2-9-22-19(27)14-6-3-7-15(10-14)24-20-23-12-17(18(21)25-20)13-5-4-8-16(26)11-13/h3-8,10-12,26H,2,9H2,1H3,(H,22,27)(H3,21,23,24,25)
InChIKeyBKLJYTBFZHOJHU-UHFFFAOYSA-N
XLogP3.31
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 50826628
3-[[4-amino-5-[3-(2-hydroxyethoxy)phenyl]pyrimidin-2-yl]amino]phenol
CID 150426927
3-(isoquinolin-1-ylamino)-N-propylbenzamide
CID 117091449
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806832
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 22060808
3-(acridin-9-ylamino)-N-[2-[[3-(acridin-9-ylamino)benzoyl]amino]ethyl]benzamide
CID 5088765
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
N-(3-ethoxypropyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826582
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide (CID 174744657) is 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(Nc2ncc(-c3cccc(O)c3)c(N)n2)c1.
What is the InChIKey of 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
The InChIKey is BKLJYTBFZHOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-9-22-19(27)14-6-3-7-15(10-14)24-20-23-12-17(18(21)25-20)13-5-4-8-16(26)11-13/h3-8,10-12,26H,2,9H2,1H3,(H,22,27)(H3,21,23,24,25).
What are the key properties of 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide?
3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-5-(3-hydroxyphenyl)pyrimidin-2-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 174744657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).