3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide

C20H21N5O2 — CID 69192929

IUPAC3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(NCC(CO)c3ccccc3)n2)c1
InChIInChI=1S/C20H21N5O2/c21-19(27)15-7-4-8-17(11-15)24-20-22-10-9-18(25-20)23-12-16(13-26)14-5-2-1-3-6-14/h1-11,16,26H,12-13H2,(H2,21,27)(H2,22,23,24,25)
InChIKeyIPRDLRJRIAWNSP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.51
Rot. Bonds8

About 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide

3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 69192929) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID69192929
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(NCC(CO)c3ccccc3)n2)c1
InChIInChI=1S/C20H21N5O2/c21-19(27)15-7-4-8-17(11-15)24-20-22-10-9-18(25-20)23-12-16(13-26)14-5-2-1-3-6-14/h1-11,16,26H,12-13H2,(H2,21,27)(H2,22,23,24,25)
InChIKeyIPRDLRJRIAWNSP-UHFFFAOYSA-N
XLogP2.51
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzoic acid
CID 69194326
3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020
3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 24823180
3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 90489120
3-[[4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 57392873
3-[[4-(2-bromo-5-hydroxyanilino)pyrimidin-2-yl]amino]benzamide
CID 25138016
2-[(2-amino-2-phenylethyl)amino]pyridine-4-carboxamide
CID 63120769
3-[[4-[3-chloro-4-(3-chlorophenoxy)anilino]pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 44532669
2-[[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 24822683
1-[3-[[4-[(2-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112892209
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 24824262

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide (CID 69192929) is 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide is NC(=O)c1cccc(Nc2nccc(NCC(CO)c3ccccc3)n2)c1.
What is the InChIKey of 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is IPRDLRJRIAWNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19(27)15-7-4-8-17(11-15)24-20-22-10-9-18(25-20)23-12-16(13-26)14-5-2-1-3-6-14/h1-11,16,26H,12-13H2,(H2,21,27)(H2,22,23,24,25).
What are the key properties of 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide?
3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-hydroxy-2-phenylpropyl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 69192929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).