3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide

C20H20N6O2 — CID 143416898

IUPAC3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)c1cc(N)ncn1
InChIInChI=1S/C20H20N6O2/c1-13-8-9-14(19(27)24-15-6-4-3-5-7-15)10-16(13)25-20(28)26(2)18-11-17(21)22-12-23-18/h3-12H,1-2H3,(H,24,27)(H,25,28)(H2,21,22,23)
InChIKeyHEHFAVPXPSBDEL-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.29
Rot. Bonds4

About 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide

3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide (PubChem CID 143416898) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide
PubChem CID143416898
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)c1cc(N)ncn1
InChIInChI=1S/C20H20N6O2/c1-13-8-9-14(19(27)24-15-6-4-3-5-7-15)10-16(13)25-20(28)26(2)18-11-17(21)22-12-23-18/h3-12H,1-2H3,(H,24,27)(H,25,28)(H2,21,22,23)
InChIKeyHEHFAVPXPSBDEL-UHFFFAOYSA-N
XLogP3.29
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[[6-(2-aminoethylamino)pyrimidin-4-yl]-methylcarbamoyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 11648796
N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 141137793
4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]-N-naphthalen-2-ylbenzamide
CID 58826538
(2,3,4,5,6-pentafluorophenyl) 4-methyl-3-[[methyl-[6-(methylamino)pyrimidin-4-yl]carbamoyl]amino]benzoate
CID 89371483
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
N-[3-[[(6-aminopyrimidin-4-yl)-(pyridin-2-ylmethyl)carbamoyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 11720566
N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 87001470
4-methyl-N-phenyl-3-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclopropanecarbonyl]amino]benzamide
CID 155548916
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-[4-methyl-3-[[methyl-[6-(N-morpholin-4-ylanilino)pyrimidin-4-yl]carbamoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 91475620
[6-[methyl-[[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamoyl]amino]pyrimidin-4-yl]carbamic acid
CID 66669972
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide (CID 143416898) is 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)N(C)c1cc(N)ncn1.
What is the InChIKey of 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide?
The InChIKey is HEHFAVPXPSBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-8-9-14(19(27)24-15-6-4-3-5-7-15)10-16(13)25-20(28)26(2)18-11-17(21)22-12-23-18/h3-12H,1-2H3,(H,24,27)(H,25,28)(H2,21,22,23).
What are the key properties of 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide?
3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide has a molecular weight of 376.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 143416898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).