N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

C17H22N6 — CID 974631

IUPACN-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C17H22N6/c1-2-8-14(9-3-1)18-15-19-16(22-10-4-5-11-22)21-17(20-15)23-12-6-7-13-23/h1-3,8-9H,4-7,10-13H2,(H,18,19,20,21)
InChIKeyPKGFXUOXABVNBM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.82
Rot. Bonds4

About N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 974631) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID974631
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC NameN-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C17H22N6/c1-2-8-14(9-3-1)18-15-19-16(22-10-4-5-11-22)21-17(20-15)23-12-6-7-13-23/h1-3,8-9H,4-7,10-13H2,(H,18,19,20,21)
InChIKeyPKGFXUOXABVNBM-UHFFFAOYSA-N
XLogP2.82
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Amanozine
CID 10832
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
Triphenylmelamine
CID 16084
6-chloro-N-isopropyl-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
CID 16766
[1,3,5]Triazine-2,4-diamine, N,N-diphenyl-6-(piperidin-1-yl)-
CID 712288
(4-Chloro-6-piperidyl(1,3,5-triazin-2-yl))phenylamine
CID 836972
N,N,N',N'-Tetramethyl-N''-phenyl-[1,3,5]triazine-2,4,6-triamine
CID 1090715
1,3,5-Triazine, 2-isopropylamino-4,6-di(phenylamino)-
CID 629324
4,6-bis(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 1289321

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 974631) is N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is c1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PKGFXUOXABVNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-2-8-14(9-3-1)18-15-19-16(22-10-4-5-11-22)21-17(20-15)23-12-6-7-13-23/h1-3,8-9H,4-7,10-13H2,(H,18,19,20,21).
What are the key properties of N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 974631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).