N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

C17H23N5O — CID 112924147

IUPACN-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1cc(C)nc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H23N5O/c1-5-22(6-2)16-10-12(3)18-17(21-16)20-15-9-7-8-14(11-15)19-13(4)23/h7-11H,5-6H2,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyQIQBQQIWEHDGFH-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.33
Rot. Bonds6

About N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112924147) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112924147
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1cc(C)nc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C17H23N5O/c1-5-22(6-2)16-10-12(3)18-17(21-16)20-15-9-7-8-14(11-15)19-13(4)23/h7-11H,5-6H2,1-4H3,(H,19,23)(H,18,20,21)
InChIKeyQIQBQQIWEHDGFH-UHFFFAOYSA-N
XLogP3.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chlorophenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924119
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
2-N-(3,5-dimethylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924103
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924168
N-[3-[[4-(3-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929714
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-methylprop-2-enamide
CID 108746164
N-[3-[[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929812
N-[3-[[6-methyl-2-(2,4,6-trimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112929109
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122288400

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (CID 112924147) is N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is CCN(CC)c1cc(C)nc(Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is QIQBQQIWEHDGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-5-22(6-2)16-10-12(3)18-17(21-16)20-15-9-7-8-14(11-15)19-13(4)23/h7-11H,5-6H2,1-4H3,(H,19,23)(H,18,20,21).
What are the key properties of N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112924147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).