2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

C19H23N9 — CID 35016466

IUPAC2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H23N9/c1-14(27-9-11-28(12-10-27)16-13-21-7-8-22-16)17-24-18(20)26-19(25-17)23-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H3,20,23,24,25,26)/t14-/m0/s1
InChIKeyYUPVZQBJWFRCQH-AWEZNQCLSA-N
MW377.46 g/mol
LogP1.87
Rot. Bonds5

About 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 35016466) has the molecular formula C19H23N9 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID35016466
Molecular FormulaC19H23N9
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H23N9/c1-14(27-9-11-28(12-10-27)16-13-21-7-8-22-16)17-24-18(20)26-19(25-17)23-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H3,20,23,24,25,26)/t14-/m0/s1
InChIKeyYUPVZQBJWFRCQH-AWEZNQCLSA-N
XLogP1.87
TPSA108.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 42925988
6-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238115
6-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238118
6-[1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24561080
6-[(1S)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34925494
6-[(1S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30765842
N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
6-[1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18124512
6-[1-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 24560839
3-propan-2-yl-5-[(1R)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 35017329
3-propan-2-yl-5-[1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 43061960

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 35016466) is 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is YUPVZQBJWFRCQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N9/c1-14(27-9-11-28(12-10-27)16-13-21-7-8-22-16)17-24-18(20)26-19(25-17)23-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H3,20,23,24,25,26)/t14-/m0/s1.
What are the key properties of 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine?
2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 377.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-6-[(1S)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 35016466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).