N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide

C19H25N7O — CID 7192885

IUPACN-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N7O/c1-14(27)20-15-6-8-16(9-7-15)21-17-22-18(25-10-2-3-11-25)24-19(23-17)26-12-4-5-13-26/h6-9H,2-5,10-13H2,1H3,(H,20,27)(H,21,22,23,24)
InChIKeyLWXHVFKQLXBACC-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide

N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide (PubChem CID 7192885) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
PubChem CID7192885
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC NameN-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C19H25N7O/c1-14(27)20-15-6-8-16(9-7-15)21-17-22-18(25-10-2-3-11-25)24-19(23-17)26-12-4-5-13-26/h6-9H,2-5,10-13H2,1H3,(H,20,27)(H,21,22,23,24)
InChIKeyLWXHVFKQLXBACC-UHFFFAOYSA-N
XLogP2.77
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172
1-[4-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
CID 58865645
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-nitrophenyl]acetamide;molecular hydrogen;hydrochloride
CID 158966224
N-(4-chlorophenyl)-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxybenzamide
CID 58865197
1-[3-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 35024747
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
2-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-N-ethylanilino]ethanol
CID 58865873
N-[4-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[4-[(4-cyclohexyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
CID 58865098
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide (CID 7192885) is N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The InChIKey is LWXHVFKQLXBACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-14(27)20-15-6-8-16(9-7-15)21-17-22-18(25-10-2-3-11-25)24-19(23-17)26-12-4-5-13-26/h6-9H,2-5,10-13H2,1H3,(H,20,27)(H,21,22,23,24).
What are the key properties of N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide has a molecular weight of 367.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 7192885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).