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

C18H25ClN6O — CID 18584608

IUPACN-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCOc1ccccc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1.Cl
InChIInChI=1S/C18H24N6O.ClH/c1-25-15-9-3-2-8-14(15)19-16-20-17(23-10-4-5-11-23)22-18(21-16)24-12-6-7-13-24;/h2-3,8-9H,4-7,10-13H2,1H3,(H,19,20,21,22);1H
InChIKeyNXJSLGXGQLEVDD-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.25
Rot. Bonds5

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

N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18584608) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18584608
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC NameN-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCOc1ccccc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1.Cl
InChIInChI=1S/C18H24N6O.ClH/c1-25-15-9-3-2-8-14(15)19-16-20-17(23-10-4-5-11-23)22-18(21-16)24-12-6-7-13-24;/h2-3,8-9H,4-7,10-13H2,1H3,(H,19,20,21,22);1H
InChIKeyNXJSLGXGQLEVDD-UHFFFAOYSA-N
XLogP3.25
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 1068515
N-(2-methoxyphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910270
4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580362
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 57398912
N-(2-methoxyphenyl)-4-pyrrolidin-1-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 123660110
2-N-(2-methoxyphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112904592
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
2-N-(2-iodophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80737478
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(2-methoxyphenyl)urea
CID 71807357

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18584608) is N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride is COc1ccccc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1.Cl.
What is the InChIKey of N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is NXJSLGXGQLEVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O.ClH/c1-25-15-9-3-2-8-14(15)19-16-20-17(23-10-4-5-11-23)22-18(21-16)24-12-6-7-13-24;/h2-3,8-9H,4-7,10-13H2,1H3,(H,19,20,21,22);1H.
What are the key properties of N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18584608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).