N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

C19H26N6O2 — CID 1292260

IUPACN-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C19H26N6O2/c1-26-14-7-8-15(16(13-14)27-2)20-17-21-18(24-9-3-4-10-24)23-19(22-17)25-11-5-6-12-25/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,21,22,23)
InChIKeyXOTJCGJKIVUKDO-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.83
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 1292260) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID1292260
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c(OC)c1
InChIInChI=1S/C19H26N6O2/c1-26-14-7-8-15(16(13-14)27-2)20-17-21-18(24-9-3-4-10-24)23-19(22-17)25-11-5-6-12-25/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,21,22,23)
InChIKeyXOTJCGJKIVUKDO-UHFFFAOYSA-N
XLogP2.83
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 1292260) is N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XOTJCGJKIVUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-26-14-7-8-15(16(13-14)27-2)20-17-21-18(24-9-3-4-10-24)23-19(22-17)25-11-5-6-12-25/h7-8,13H,3-6,9-12H2,1-2H3,(H,20,21,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 370.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1292260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).