[(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride

C14H16Cl3N5O — CID 67577795

IUPAC[(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.Nc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCC[C@H]2CO)n1
InChIInChI=1S/C14H15Cl2N5O.ClH/c15-8-3-4-11(16)10(6-8)12-18-13(17)20-14(19-12)21-5-1-2-9(21)7-22;/h3-4,6,9,22H,1-2,5,7H2,(H2,17,18,19,20);1H/t9-;/m0./s1
InChIKeyJYCLMVVDZOCXFE-FVGYRXGTSA-N
MW376.68 g/mol
LogP2.81
Rot. Bonds3

About [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride

[(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 67577795) has the molecular formula C14H16Cl3N5O and a molecular weight of 376.68 g/mol. Its IUPAC name is [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID67577795
Molecular FormulaC14H16Cl3N5O
Molecular Weight376.68 g/mol
Exact Mass375.04
IUPAC Name[(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride
SMILESCl.Nc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCC[C@H]2CO)n1
InChIInChI=1S/C14H15Cl2N5O.ClH/c15-8-3-4-11(16)10(6-8)12-18-13(17)20-14(19-12)21-5-1-2-9(21)7-22;/h3-4,6,9,22H,1-2,5,7H2,(H2,17,18,19,20);1H/t9-;/m0./s1
InChIKeyJYCLMVVDZOCXFE-FVGYRXGTSA-N
XLogP2.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4-(2,5-dichlorophenyl)-6-[(2S,4R)-2-hydroxymethyl-4-hydroxy-1-pyrrolidinyl]-1,3,5-triazine
CID 9863503
2-Amino-4-[N,N-bis(2-hydroxyethyl)amino]-6-(2,5-dichlorophenyl)-1,3,5-triazine
CID 9884526
4-(2,5-Dichlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 9905395
2-[[4-Amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 15435612
2-[[4-Amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 15435613
[(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 15435624
2-Amino-4-(2,5-dichlorophenyl)-6-(3-aminomethyl-1-pyrrolidinyl)-1,3,5-triazine dihydrochloride
CID 21842411
[1-[4-Amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride
CID 21842417
[1-[4-Amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 21842418
1-[4-Amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 21842419
1-[4-Amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]piperidin-4-ol
CID 21842422
4-(2,5-Dichlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 21842423

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride (CID 67577795) is [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride is Cl.Nc1nc(-c2cc(Cl)ccc2Cl)nc(N2CCC[C@H]2CO)n1.
What is the InChIKey of [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is JYCLMVVDZOCXFE-FVGYRXGTSA-N. The full InChI is InChI=1S/C14H15Cl2N5O.ClH/c15-8-3-4-11(16)10(6-8)12-18-13(17)20-14(19-12)21-5-1-2-9(21)7-22;/h3-4,6,9,22H,1-2,5,7H2,(H2,17,18,19,20);1H/t9-;/m0./s1.
What are the key properties of [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 376.68 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 67577795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).