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

C14H16Cl3N5O — CID 67577962

IUPAC[(2R)-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-;/m1./s1
InChIKeyJYCLMVVDZOCXFE-SBSPUUFOSA-N
MW376.68 g/mol
LogP2.81
Rot. Bonds3

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

[(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 67577962) has the molecular formula C14H16Cl3N5O and a molecular weight of 376.68 g/mol. Its IUPAC name is [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride
PubChem CID67577962
Molecular FormulaC14H16Cl3N5O
Molecular Weight376.68 g/mol
Exact Mass375.04
IUPAC Name[(2R)-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-;/m1./s1
InChIKeyJYCLMVVDZOCXFE-SBSPUUFOSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride (CID 67577962) is [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R)-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 [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is JYCLMVVDZOCXFE-SBSPUUFOSA-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-;/m1./s1.
What are the key properties of [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride?
[(2R)-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 [(2R)-1-[4-amino-6-(2,5-dichlorophenyl)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 67577962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).