2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide

C28H28N4O2 — CID 11339943

IUPAC2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H28N4O2/c1-20(26(33)23-16-10-5-11-17-23)32(2)27(34)24-19-30-28(29-18-21-12-6-3-7-13-21)31-25(24)22-14-8-4-9-15-22/h3-17,19-20,26,33H,18H2,1-2H3,(H,29,30,31)
InChIKeyGAEYOJBJWAKQJQ-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.95
Rot. Bonds8

About 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide

2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 11339943) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide
PubChem CID11339943
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C28H28N4O2/c1-20(26(33)23-16-10-5-11-17-23)32(2)27(34)24-19-30-28(29-18-21-12-6-3-7-13-21)31-25(24)22-14-8-4-9-15-22/h3-17,19-20,26,33H,18H2,1-2H3,(H,29,30,31)
InChIKeyGAEYOJBJWAKQJQ-UHFFFAOYSA-N
XLogP4.95
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-phenyl-2-(thiophen-2-ylmethylamino)pyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate
CID 68849746
[2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate
CID 68851709
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
2-[(3-chlorophenyl)methylamino]-N-methyl-4-(3-methylphenyl)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59421235
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
4-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915956
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
[2-(benzylamino)-4-(4-chlorophenyl)pyrimidin-5-yl]-[2-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 11237600
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide (CID 11339943) is 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide is CC(C(O)c1ccccc1)N(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is GAEYOJBJWAKQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-20(26(33)23-16-10-5-11-17-23)32(2)27(34)24-19-30-28(29-18-21-12-6-3-7-13-21)31-25(24)22-14-8-4-9-15-22/h3-17,19-20,26,33H,18H2,1-2H3,(H,29,30,31).
What are the key properties of 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 11339943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).