N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine

C17H21N5 — CID 154866858

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine
SMILESCC1CC(Nc2ncnc(-c3ccccc3)n2)CN1C1CC1
InChIInChI=1S/C17H21N5/c1-12-9-14(10-22(12)15-7-8-15)20-17-19-11-18-16(21-17)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H,18,19,20,21)
InChIKeyGYMGHJLXGHVYER-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.58
Rot. Bonds4

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine (PubChem CID 154866858) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine
PubChem CID154866858
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine
SMILESCC1CC(Nc2ncnc(-c3ccccc3)n2)CN1C1CC1
InChIInChI=1S/C17H21N5/c1-12-9-14(10-22(12)15-7-8-15)20-17-19-11-18-16(21-17)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H,18,19,20,21)
InChIKeyGYMGHJLXGHVYER-UHFFFAOYSA-N
XLogP2.58
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazine
CID 2777760
1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53321550
4-(4-Methylpiperazin-1-yl)-6-phenyl-1,3,5-triazin-2-amine
CID 21842421
N~2~,N~4~-Diethyl-6-phenyl-1,3,5-triazine-2,4-diamine
CID 16081
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 117817088
2-N,4-N-bis(but-3-enyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 117817328
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2,5-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 117817456
6-[1-[benzyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17523043
1-(1-Benzylpiperidin-4-yl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53499983
4-(3-phenyl-4H-1,2,4-triazol-4-yl)piperidine
CID 13375843
N,N-dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride
CID 399691
N-(1-Benzylpyrrolidin-3-YL)-1,3,5-triazin-2-amine
CID 91779648

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine (CID 154866858) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine is CC1CC(Nc2ncnc(-c3ccccc3)n2)CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine?
The InChIKey is GYMGHJLXGHVYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-9-14(10-22(12)15-7-8-15)20-17-19-11-18-16(21-17)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3,(H,18,19,20,21).
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 154866858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).