(3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol

C16H19Cl2N5O — CID 118249267

IUPAC(3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol
SMILESC[C@@]1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O
InChIInChI=1S/C16H19Cl2N5O/c1-16(20)5-6-23(8-11(16)24)12-7-21-14(15(19)22-12)9-3-2-4-10(17)13(9)18/h2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t11-,16-/m1/s1
InChIKeyBUXAMDBIGPCBMS-BDJLRTHQSA-N
MW368.27 g/mol
LogP2.32
Rot. Bonds2

About (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol

(3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol (PubChem CID 118249267) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol
PubChem CID118249267
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC Name(3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol
SMILESC[C@@]1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O
InChIInChI=1S/C16H19Cl2N5O/c1-16(20)5-6-23(8-11(16)24)12-7-21-14(15(19)22-12)9-3-2-4-10(17)13(9)18/h2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t11-,16-/m1/s1
InChIKeyBUXAMDBIGPCBMS-BDJLRTHQSA-N
XLogP2.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol (CID 118249267) is (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol is C[C@@]1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol?
The InChIKey is BUXAMDBIGPCBMS-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c1-16(20)5-6-23(8-11(16)24)12-7-21-14(15(19)22-12)9-3-2-4-10(17)13(9)18/h2-4,7,11,24H,5-6,8,20H2,1H3,(H2,19,22)/t11-,16-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol?
(3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol has a molecular weight of 368.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 118249267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).