N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide

C21H22N6O2 — CID 141137793

IUPACN-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(N(C)C(=O)Nc3ccccc3C)ncn2)c1
InChIInChI=1S/C21H22N6O2/c1-14-7-4-5-10-18(14)26-21(29)27(3)20-12-19(22-13-23-20)25-17-9-6-8-16(11-17)24-15(2)28/h4-13H,1-3H3,(H,24,28)(H,26,29)(H,22,23,25)
InChIKeyHPJUOMUUSBWCBQ-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.16
Rot. Bonds5

About N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 141137793) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID141137793
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(N(C)C(=O)Nc3ccccc3C)ncn2)c1
InChIInChI=1S/C21H22N6O2/c1-14-7-4-5-10-18(14)26-21(29)27(3)20-12-19(22-13-23-20)25-17-9-6-8-16(11-17)24-15(2)28/h4-13H,1-3H3,(H,24,28)(H,26,29)(H,22,23,25)
InChIKeyHPJUOMUUSBWCBQ-UHFFFAOYSA-N
XLogP4.16
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865208
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865512
3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide
CID 143416898
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865016

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 141137793) is N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(N(C)C(=O)Nc3ccccc3C)ncn2)c1.
What is the InChIKey of N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is HPJUOMUUSBWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-7-4-5-10-18(14)26-21(29)27(3)20-12-19(22-13-23-20)25-17-9-6-8-16(11-17)24-15(2)28/h4-13H,1-3H3,(H,24,28)(H,26,29)(H,22,23,25).
What are the key properties of N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 390.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-[methyl-[(2-methylphenyl)carbamoyl]amino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 141137793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).