N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide

C21H23N5O2 — CID 27478437

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1
InChIInChI=1S/C21H23N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-13H,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyAUCRQTKLXMPXGN-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.86
Rot. Bonds6

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide (PubChem CID 27478437) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide
PubChem CID27478437
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1
InChIInChI=1S/C21H23N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-13H,1-4H3,(H,23,27)(H,22,24,25)
InChIKeyAUCRQTKLXMPXGN-UHFFFAOYSA-N
XLogP3.86
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide (CID 27478437) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)c1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide?
The InChIKey is AUCRQTKLXMPXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-12-19(26(2)3)25-21(22-14)24-17-10-8-16(9-11-17)23-20(27)15-6-5-7-18(13-15)28-4/h5-13H,1-4H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide has a molecular weight of 377.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 27478437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).