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

C18H23ClN6O — CID 7424261

IUPACN-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1Cl
InChIInChI=1S/C18H23ClN6O/c1-26-15-7-6-13(12-14(15)19)20-16-21-17(24-8-2-3-9-24)23-18(22-16)25-10-4-5-11-25/h6-7,12H,2-5,8-11H2,1H3,(H,20,21,22,23)
InChIKeyQWTIAMPSOFNROL-UHFFFAOYSA-N
MW374.88 g/mol
LogP3.48
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 7424261) has the molecular formula C18H23ClN6O and a molecular weight of 374.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID7424261
Molecular FormulaC18H23ClN6O
Molecular Weight374.88 g/mol
Exact Mass374.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1Cl
InChIInChI=1S/C18H23ClN6O/c1-26-15-7-6-13(12-14(15)19)20-16-21-17(24-8-2-3-9-24)23-18(22-16)25-10-4-5-11-25/h6-7,12H,2-5,8-11H2,1H3,(H,20,21,22,23)
InChIKeyQWTIAMPSOFNROL-UHFFFAOYSA-N
XLogP3.48
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 7424261) is N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QWTIAMPSOFNROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O/c1-26-15-7-6-13(12-14(15)19)20-16-21-17(24-8-2-3-9-24)23-18(22-16)25-10-4-5-11-25/h6-7,12H,2-5,8-11H2,1H3,(H,20,21,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 374.88 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 7424261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).